Marvin 04081012452D 155160 0 0 1 0 999 V2000 12.1431 -9.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8568 -10.3852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1431 -9.1561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5704 -9.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8568 -11.2178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5704 -9.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2842 -8.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8568 -8.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4295 -10.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1431 -11.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4295 -11.2178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1431 -12.4468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4295 -12.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8568 -12.8632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7158 -12.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -12.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7158 -11.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -11.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3083 -11.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3083 -12.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5946 -11.2178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9978 -14.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5704 -12.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2842 -15.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9978 -14.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5704 -11.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2842 -13.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2842 -12.8632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6917 -15.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9978 -12.4468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5463 -12.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6917 -12.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5463 -13.6759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8327 -12.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6917 -13.6759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1190 -12.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4053 -12.4468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2600 -12.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4053 -11.6341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6917 -11.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9978 -11.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6917 -10.3852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3657 -9.9094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1080 -9.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2952 -9.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0375 -9.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0992 -10.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8128 -9.9094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0992 -11.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8128 -9.0768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5067 -10.3059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2203 -9.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5067 -11.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9341 -10.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9582 -7.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0992 -8.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9582 -6.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6718 -7.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3855 -9.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3855 -7.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0992 -7.8476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2445 -7.8476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8128 -7.4313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6477 -6.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8128 -6.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6477 -7.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9341 -6.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0992 -6.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2203 -6.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5067 -6.2022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3614 -6.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5067 -5.3895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2203 -4.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2203 -4.1604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9341 -5.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9341 -3.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5067 -3.7441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9341 -2.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6477 -2.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2203 -2.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2203 -1.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6477 -1.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9341 -1.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8128 -1.6823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3855 -4.1604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5067 -2.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8128 -4.9732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0992 -3.7441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8128 -2.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8128 -4.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0992 -2.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6718 -3.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6718 -2.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2445 -3.7441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9582 -4.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1233 -4.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5308 -4.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1233 -4.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8171 -3.7441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5308 -4.9732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8171 -5.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4096 -5.3895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8171 -2.9114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1233 -2.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1233 -1.6823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6960 -2.5149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4096 -2.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9823 -2.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9823 -3.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5550 -2.9114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2686 -2.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5550 -3.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2686 -4.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8413 -4.9732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8413 -4.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1276 -5.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4338 -4.9732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4338 -6.6185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1276 -6.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4338 -7.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1276 -7.8476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7201 -7.8476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7201 -8.6802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9271 -8.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4514 -8.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9271 -7.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3083 -9.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4734 -9.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0220 -8.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1672 -8.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3083 -9.8499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4734 -9.8499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5946 -8.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7597 -10.2662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5946 -10.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1672 -10.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8809 -9.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7597 -11.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4734 -11.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0461 -11.4953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3919 -11.0195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7179 -11.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9756 -12.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7884 -12.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 -10.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6782 -9.7706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0857 -9.7706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6782 -8.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9646 -10.1869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9646 -8.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9646 -7.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2508 -8.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5372 -8.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2508 -7.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5372 -7.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 9 1 1 0 0 0 0 4 2 1 0 0 0 0 2 5 1 6 0 0 0 6 4 1 0 0 0 0 10 5 1 0 0 0 0 7 6 1 0 0 0 0 8 6 1 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 12 14 1 1 0 0 0 15 13 1 0 0 0 0 23 14 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 20 16 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 20 19 2 0 0 0 0 21 19 1 0 0 0 0 24 22 2 0 0 0 0 25 22 1 0 0 0 0 29 22 1 0 0 0 0 28 23 1 0 0 0 0 26 23 2 0 0 0 0 27 25 1 0 0 0 0 28 27 1 0 0 0 0 28 30 1 1 0 0 0 32 30 1 0 0 0 0 33 31 2 0 0 0 0 34 31 1 0 0 0 0 38 31 1 0 0 0 0 37 32 1 0 0 0 0 35 32 2 0 0 0 0 36 34 1 0 0 0 0 37 36 1 0 0 0 0 37 39 1 1 0 0 0 40 39 1 0 0 0 0 41 40 2 0 0 0 0 42 40 1 0 0 0 0 42 43 1 6 0 0 0 46 42 1 0 0 0 0 44 43 1 0 0 0 0 47 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 48 47 1 0 0 0 0 49 47 2 0 0 0 0 48 50 1 1 0 0 0 51 48 1 0 0 0 0 56 50 1 0 0 0 0 52 51 1 0 0 0 0 51 53 1 6 0 0 0 54 52 1 0 0 0 0 57 55 2 0 0 0 0 58 55 1 0 0 0 0 62 55 1 0 0 0 0 61 56 1 0 0 0 0 59 56 2 0 0 0 0 60 58 1 0 0 0 0 61 60 1 0 0 0 0 61 63 1 6 0 0 0 65 63 1 0 0 0 0 66 64 2 0 0 0 0 67 64 1 0 0 0 0 71 64 1 0 0 0 0 70 65 1 0 0 0 0 68 65 2 0 0 0 0 69 67 1 0 0 0 0 70 69 1 0 0 0 0 70 72 1 1 0 0 0 73 72 1 0 0 0 0 74 73 1 0 0 0 0 75 73 2 0 0 0 0 76 74 1 0 0 0 0 74 77 1 1 0 0 0 78 76 1 0 0 0 0 90 77 1 0 0 0 0 79 78 2 0 0 0 0 80 78 1 0 0 0 0 82 79 1 0 0 0 0 81 80 2 0 0 0 0 83 81 1 0 0 0 0 83 82 2 0 0 0 0 89 84 1 0 0 0 0 88 85 1 1 0 0 0 92 85 1 0 0 0 0 89 86 2 0 0 0 0 90 87 2 0 0 0 0 90 88 1 0 0 0 0 91 88 1 0 0 0 0 91 89 1 0 0 0 0 93 92 2 0 0 0 0 95 92 1 0 0 0 0 95 94 1 0 0 0 0 97 94 1 0 0 0 0 98 96 1 0 0 0 0 99 96 1 0 0 0 0 99 97 1 0 0 0 0 100 97 2 0 0 0 0 101 98 2 0 0 0 0 102 98 1 0 0 0 0 99103 1 6 0 0 0 104103 1 0 0 0 0 105104 2 0 0 0 0 107104 1 0 0 0 0 107106 1 0 0 0 0 108106 1 0 0 0 0 109108 2 0 0 0 0 111108 1 0 0 0 0 111110 1 0 0 0 0 112110 1 0 0 0 0 113112 2 0 0 0 0 115112 1 0 0 0 0 115114 1 0 0 0 0 116114 1 0 0 0 0 117116 2 0 0 0 0 119116 1 0 0 0 0 119118 1 0 0 0 0 120118 1 0 0 0 0 121120 2 0 0 0 0 122120 1 0 0 0 0 122123 1 1 0 0 0 126122 1 0 0 0 0 124123 1 0 0 0 0 128123 1 0 0 0 0 125124 1 0 0 0 0 126125 1 0 0 0 0 129127 2 0 0 0 0 131127 1 0 0 0 0 133127 1 0 0 0 0 132128 1 0 0 0 0 130128 2 0 0 0 0 135131 1 0 0 0 0 136132 1 0 0 0 0 132134 1 6 0 0 0 138134 1 0 0 0 0 137135 1 0 0 0 0 137136 1 0 0 0 0 139138 2 0 0 0 0 140138 1 0 0 0 0 140141 1 6 0 0 0 144140 1 0 0 0 0 142141 1 0 0 0 0 145141 1 0 0 0 0 143142 1 0 0 0 0 144143 1 0 0 0 0 146145 1 0 0 0 0 147145 2 0 0 0 0 148146 1 0 0 0 0 146149 1 6 0 0 0 150148 1 0 0 0 0 151150 2 0 0 0 0 152150 1 0 0 0 0 154151 1 0 0 0 0 153152 2 0 0 0 0 155153 1 0 0 0 0 155154 2 0 0 0 0 M END > CHEBI:59173 > bivalirudin > A synthetic peptide of 20 amino acids, comprising D-Phe, Pro, Arg, Pro, Gly, Gly, Gly, Gly, Asn, Gly, Asp, Phe, Glu, Glu, Ile, Pro, Glu, Glu, Tyr, and Leu in sequence. A congener of hirudin (a naturally occurring drug found in the saliva of the medicinal leech), it a specific and reversible inhibitor of thrombin, and is used as an anticoagulant. > 3 > bivalirudinum; bivalirudine; bivalirudina; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[2-[[2-[[2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-cyclohexylpropanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid > D-phenylalanyl-L-prolyl-L-arginyl-L-prolylglycylglycylglycylglycyl-L-asparaginylglycyl-L-alpha-aspartyl-L-phenylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-L-leucine > bivalirudin > C98H138N24O33 > 2180.28530 > 2178.98581 > 0 > CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O > InChI=1S/C98H138N24O33/c1-5-52(4)82(96(153)122-39-15-23-70(122)92(149)114-60(30-34-79(134)135)85(142)111-59(29-33-78(132)133)86(143)116-64(43-55-24-26-56(123)27-25-55)89(146)118-67(97(154)155)40-51(2)3)119-87(144)61(31-35-80(136)137)112-84(141)58(28-32-77(130)131)113-88(145)63(42-54-18-10-7-11-19-54)117-90(147)66(45-81(138)139)110-76(129)50-107-83(140)65(44-71(100)124)109-75(128)49-106-73(126)47-104-72(125)46-105-74(127)48-108-91(148)68-21-13-38-121(68)95(152)62(20-12-36-103-98(101)102)115-93(150)69-22-14-37-120(69)94(151)57(99)41-53-16-8-6-9-17-53/h6-11,16-19,24-27,51-52,57-70,82,123H,5,12-15,20-23,28-50,99H2,1-4H3,(H2,100,124)(H,104,125)(H,105,127)(H,106,126)(H,107,140)(H,108,148)(H,109,128)(H,110,129)(H,111,142)(H,112,141)(H,113,145)(H,114,149)(H,115,150)(H,116,143)(H,117,147)(H,118,146)(H,119,144)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,154,155)(H4,101,102,103)/t52-,57+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,82-/m0/s1 > OIRCOABEOLEUMC-GEJPAHFPSA-N > 12004535 > 128270-60-0 > 128270-60-0 > DB00006 > 28844201; 29086730; 29276283; 29342377; 29345439; 29345440; 29345441; 29345444; 29350380; 29377655; 29461391; 29477790; 29544607; 29563377; 29600024 $$$$