英文别名:
Carbetocin (acetate);Carbetocin acetate;D81076;Carbetocin acetate(37025-55-1 free base);SCHEMBL19745049;acetic acid; carbetocin;CS-0012390;1936459-26-5;HY-17573A;acetic acid;(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-methoxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicosane-3-carbonyl]pyrrolidine-2-carboxamide;1631754-28-3;DA-51582;
Inchi:
1S/C45H69N11O12S.C2H4O2/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59;1-2(3)4/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64);1H3,(H,3,4)/t25-,28-,29-,30-,31-,32-,33-,38-;/m0./s1
SMILES:
S1C([H])([H])C([H])([H])C([H])([H])C(N([H])[C@@]([H])(C([H])([H])C2C([H])=C([H])C(=C([H])C=2[H])OC([H])([H])[H])C(N([H])[C@]([H])(C(N([H])[C@@]([H])(C([H])([H])C([H])([H])C(N([H])[H])=O)C(N([H])[C@@]([H])(C([H])([H])C(N([H])[H])=O)C(N([H])[C@@]([H])(C1([H])[H])C(N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(N([H])[C@]([H])(C(N([H])C([H])([H])C(N([H])[H])=O)=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O)=O)=O)=O)=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=O)=O.O([H])C(C([H])([H])[H])=O