缩宫素(6233-83-6)名称与标识符
名称
中文别名:
缩宫素;醋酸催产素;醋酸催产素鉴别标准品;醋酸缩宫素;羟可待酮鉴别 USP标准品;缩宫素乙酸盐;
英文别名:
Oxytocin;Oxytocin, monoacetate (salt);Oxytocin Acetate;Oxytocic hormone acetate;α-Hypophamine acetate;CAS-6233-83-6;DTXSID1046552;acetic acid;(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;DA-56524;SCHEMBL2126148;6233-83-6 (acetate);EINECS 228-347-5;AT13256;OXYTOCIN IDENTIFICATION (USP-RS);UNII-4NR672T8NL;DTXCID9026552;(S)-N-((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)-1-((4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-((S)-sec-butyl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamide acetate;CHEMBL3185709;6233-83-6;Q27260257;Orasthin; Ossitocina;Oxytocin Monoacetate;Oxytocin, acetate (1:1); Oxytocin, acetate (7CI); Oxytocin, monoacetate (salt) (8CI,9CI); 1,2-Dithia-5,8,11,14,17-pentaazacycloeicosane, cyclic peptide deriv.; Oxytocin acetate (salt);OXYTOCIN, ACETATE (1:1);CCG-270627;NCGC00166145-02;4NR672T8NL;AKOS030526861;Tox21_112339;
标识符
InChIKey:
DSZOEVVLZMNAEH-BXUJZNQYSA-N
Inchi:
1S/C43H66N12O12S2.C2H4O2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59;1-2(3)4/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64);1H3,(H,3,4)/t22-,25-,26-,27-,28-,29-,30-,31-,35-;/m0./s1
SMILES:
S1C[C@@H](C(N2CCC[C@H]2C(N[C@H](C(NCC(N)=O)=O)CC(C)C)=O)=O)NC([C@H](CC(N)=O)NC([C@H](CCC(N)=O)NC([C@H]([C@@H](C)CC)NC([C@H](CC2C=CC(=CC=2)O)NC([C@H](CS1)N)=O)=O)=O)=O)=O.OC(C)=O