CDK 1030232203 107110 0 0 0 0 0 0 0 0999 V2000 18.2084 -6.0390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3846 -6.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2512 -5.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3399 -6.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9088 -3.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1192 -7.7024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1540 -7.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1180 -4.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1007 -3.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7328 -8.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6767 -6.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4455 -7.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5191 -3.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5017 -2.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4156 -8.8942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1987 -9.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4909 -6.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7109 -2.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5419 -9.5594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7661 -9.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3951 -2.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7932 -9.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5310 -10.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0566 -10.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9875 -10.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0984 -11.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7286 -10.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7547 -2.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -10.0831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0766 -10.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8633 -11.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4936 -11.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5775 -1.7585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9730 -2.8276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3568 -9.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4110 -11.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0609 -12.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2660 -3.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0933 -10.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6080 -9.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5001 -12.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8259 -12.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6671 -3.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7668 -2.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9512 -9.0601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3361 -10.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2550 -12.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8344 -12.6981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0384 -3.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 -4.5032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0859 -1.8354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9483 -2.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4171 -8.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2734 -9.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5113 -10.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8988 -5.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7343 -8.8942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0307 -7.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7653 -6.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1039 -5.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8100 -6.9075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2643 -8.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9415 -6.0390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8975 -4.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6166 -7.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8617 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8617 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1026 -4.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8502 -7.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8617 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5763 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8617 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5140 -4.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8962 -3.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5763 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8617 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5763 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5763 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7196 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4342 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7209 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 13 18 2 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 26 31 1 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 28 34 2 0 0 0 0 29 35 1 0 0 0 0 30 36 2 0 0 0 0 30 37 1 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 2 0 0 0 0 35 41 2 0 0 0 0 35 42 1 0 0 0 0 37 43 1 0 0 0 0 38 44 2 0 0 0 0 38 45 1 0 0 0 0 39 46 1 0 0 0 0 40 47 1 0 0 0 0 42 48 1 0 0 0 0 42 49 1 0 0 0 0 43 50 1 0 0 0 0 43 51 1 0 0 0 0 45 52 1 0 0 0 0 45 53 1 0 0 0 0 46 54 2 0 0 0 0 46 55 1 0 0 0 0 48 56 1 0 0 0 0 49 57 1 0 0 0 0 50 58 2 0 0 0 0 50 59 1 0 0 0 0 51 60 1 0 0 0 0 51 61 1 0 0 0 0 52 62 1 0 0 0 0 52 63 1 0 0 0 0 53 64 1 0 0 0 0 56 65 2 0 0 0 0 56 66 1 0 0 0 0 57 67 1 0 0 0 0 59 68 1 0 0 0 0 62 69 2 0 0 0 0 62 70 1 0 0 0 0 66 71 1 0 0 0 0 66 72 1 0 0 0 0 67 73 1 0 0 0 0 68 74 1 0 0 0 0 68 75 1 0 0 0 0 70 76 1 0 0 0 0 70 77 1 0 0 0 0 71 78 1 0 0 0 0 72 79 1 0 0 0 0 74 80 2 0 0 0 0 75 81 1 0 0 0 0 77 82 1 0 0 0 0 78 83 2 0 0 0 0 78 84 1 0 0 0 0 79 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 88 1 0 0 0 0 85 89 2 0 0 0 0 85 90 1 0 0 0 0 86 91 2 0 0 0 0 86 92 1 0 0 0 0 88 93 1 0 0 0 0 88 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 105107 1 0 0 0 0 14 18 1 0 0 0 0 34 40 1 0 0 0 0 63 64 1 0 0 0 0 74 76 1 0 0 0 0 M END > CHEBI:224325 > SNA-60-367-11 > 2 > 5-[[5-amino-1-[[10-(3-amino-3-oxopropyl)-4-butan-2-yl-22-(2-carboxyethyl)-25-(1-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]-3,6,9,12,18,21,24,27-octaoxo-19-propyl-2-oxa-5,8,11,17,20,23,26-heptazatricyclo[28.2.2.013,17]tetratriaconta-1(33),30(34),31-trien-28-yl]amino]-1-oxopentan-2-yl]amino]-4-[(3-hydroxy-15-methylhexadecanoyl)amino]-5-oxopentanoic acid > C75H116N12O20 > 1505.817 > 1504.84288 > 0 > O=C1OC2=CC=C(CC(NC(=O)C(NC(=O)C(NC(=O)CC(O)CCCCCCCCCCCC(C)C)CCC(=O)O)CCCN)C(=O)NC(C(=O)NC(C(=O)NC(C(N3C(C(NC(C(NC(C(NC1C(CC)C)=O)CC4=CC=C(O)C=C4)=O)CCC(=O)N)=O)CCC3)=O)CCC)CCC(=O)O)C(O)C)C=C2 > InChI=1S/C75H116N12O20/c1-7-20-56-74(105)87-40-19-24-59(87)72(103)80-54(33-36-60(77)91)69(100)84-57(41-47-25-29-49(89)30-26-47)70(101)85-64(45(5)8-2)75(106)107-51-31-27-48(28-32-51)42-58(71(102)86-65(46(6)88)73(104)81-55(68(99)82-56)35-38-63(95)96)83-66(97)52(23-18-39-76)79-67(98)53(34-37-62(93)94)78-61(92)43-50(90)22-17-15-13-11-9-10-12-14-16-21-44(3)4/h25-32,44-46,50,52-59,64-65,88-90H,7-24,33-43,76H2,1-6H3,(H2,77,91)(H,78,92)(H,79,98)(H,80,103)(H,81,104)(H,82,99)(H,83,97)(H,84,100)(H,85,101)(H,86,102)(H,93,94)(H,95,96) > MMSXAXQLKQFZMQ-UHFFFAOYSA-N $$$$