Ketcher 05291514242D 1 1.00000 0.00000 0 101110 0 1 0 999 V2000 9.3016 -7.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8086 -6.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2936 -7.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2949 -5.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7895 -6.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2888 -5.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8120 -4.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7865 -6.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7956 -4.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2576 -5.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8195 -6.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2816 -3.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3106 -5.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7904 -4.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3217 -5.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2926 -3.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8127 -4.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1296 -3.3773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7837 -3.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2648 -2.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8237 -4.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5263 -9.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6617 -9.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3712 -9.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5408 -8.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6469 -10.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8221 -9.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3568 -10.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2412 -9.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4972 -11.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9518 -9.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0918 -9.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5047 -12.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9320 -10.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1069 -9.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9561 -9.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0772 -10.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6452 -12.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3437 -12.8158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0673 -11.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2478 -9.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8013 -9.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9816 -8.4127 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.9274 -11.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7948 -12.2711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6306 -13.7734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2087 -12.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2278 -10.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7869 -10.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9356 -12.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0535 -12.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2341 -11.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3683 -11.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6370 -11.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9102 -13.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0909 -12.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9184 -12.3637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3539 -12.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 -10.6938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6225 -12.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5072 -10.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0454 -14.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7605 -14.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2259 -12.7235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3861 -11.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7576 -12.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 -12.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4728 -12.9030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0253 -15.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7406 -15.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7434 -13.8601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4747 -13.6693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6444 -12.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3374 -12.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1556 -15.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8757 -15.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 -14.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1824 -12.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3630 -11.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 -15.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 -16.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -16.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6511 -15.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1678 -13.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0525 -12.4728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4456 -15.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2816 -17.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9912 -17.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6366 -16.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3085 -14.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9029 -12.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4311 -16.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2940 -15.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5717 -17.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1261 -8.2647 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.4588 -13.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0359 -13.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1706 -14.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1530 -15.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3230 -13.8033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7931 -14.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 4 7 1 1 0 0 5 8 1 1 0 0 6 9 1 6 0 0 5 6 1 0 0 0 8 10 1 0 0 0 2 11 1 6 0 0 14 12 1 0 0 0 12 18 1 1 0 0 12 20 1 0 0 0 16 12 1 0 0 0 13 11 1 6 0 0 14 13 1 0 0 0 15 13 1 0 0 0 17 15 1 0 0 0 17 16 1 0 0 0 16 19 1 6 0 0 17 21 1 1 0 0 27 31 1 0 0 0 29 32 1 0 0 0 30 33 1 0 0 0 31 34 1 0 0 0 31 35 2 0 0 0 32 36 1 0 0 0 32 37 2 0 0 0 33 38 1 0 0 0 33 39 1 1 0 0 34 40 2 0 0 0 35 41 1 0 0 0 36 42 2 0 0 0 36 43 1 0 0 0 37 44 1 0 0 0 38 45 1 0 0 0 38 46 2 0 0 0 39 47 1 0 0 0 40 48 1 0 0 0 42 49 1 0 0 0 50 45 1 6 0 0 47 51 1 0 0 0 47 52 2 0 0 0 48 53 1 0 0 0 49 54 1 0 0 0 50 55 1 0 0 0 50 56 1 0 0 0 51 57 1 0 0 0 53 58 1 0 0 0 53 59 1 6 0 0 54 60 1 0 0 0 54 61 1 1 0 0 55 62 1 0 0 0 55 63 2 0 0 0 56 64 1 0 0 0 56 65 2 0 0 0 57 66 1 0 0 0 58 67 1 0 0 0 60 68 1 1 0 0 62 69 2 0 0 0 63 70 1 0 0 0 66 71 2 0 0 0 67 72 1 0 0 0 67 73 2 0 0 0 68 74 1 0 0 0 69 75 1 0 0 0 69 76 1 0 0 0 72 77 1 0 0 0 74 78 1 0 0 0 74 79 2 0 0 0 75 80 2 0 0 0 75 81 1 0 0 0 76 82 1 0 0 0 77 83 1 6 0 0 78 84 1 0 0 0 78 85 1 6 0 0 80 86 1 0 0 0 81 87 2 0 0 0 81 88 1 0 0 0 83 89 2 0 0 0 84 90 1 0 0 0 85 91 1 0 0 0 86 92 2 0 0 0 90 93 1 0 0 0 92 94 1 0 0 0 28 30 2 0 0 0 41 48 2 0 0 0 44 49 2 0 0 0 58 64 1 6 0 0 60 66 1 0 0 0 70 76 2 0 0 0 77 80 1 0 0 0 87 92 1 0 0 0 22 23 1 0 0 0 22 24 2 0 0 0 22 25 1 0 0 0 23 26 2 0 0 0 23 27 1 0 0 0 24 28 1 0 0 0 24 29 1 0 0 0 26 30 1 0 0 0 35 95 1 0 0 0 90 96 1 0 0 0 51 97 1 1 0 0 99 98 2 0 0 0 100 98 1 0 0 0 97 98 1 0 0 0 83101 1 0 0 0 1 25 1 1 0 0 M END > CHEBI:85901 > epivancomycin > A glyopeptide that is vancomycin in which the terminal vancosamine of the disaccharide moiety is replaced by 4-epi-vancosamine. > 3 > C66H75Cl2N9O24 > 1449.25400 > 1447.43020 > 0 > CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@@H](O)[C@H](C)O1)c(Cl)c2 > InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57-,65-,66-/m0/s1 > MYPYJXKWCTUITO-UNZADAAQSA-N > 11294642; 15070728 $$$$