Chemical Compound

(2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide

CAS Registry Number 90779-69-4
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(2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide 结构式
Primary record

(2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide

库存
5,181 克
纯度
99.5 %
CAS
90779-69-4

化合物标识与属性

CAS
90779-69-4
PubChem CID
68613
SMILES
CC[C@H](C)[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O
Canonical SMILES
CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)C([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1

名称与同义词

  • Atosiban
  • Atosiban acetate
  • Atosibanum
  • Tractocile
  • Antocin
  • deTVT
  • dTVT
  • Atosiban (Standard)
  • Atosiban [USAN:INN]
  • dE-TVT
  • Atosibanum [INN-Latin]
  • Atosiban (USAN/INN)
  • d(TVT)
  • AC1L2A3P
  • Atosiban [USAN:INN:BAN]
  • UNII-081D12SI0Z
  • 90779-69-4
  • C15H21NO3S
  • SCHEMBL1648581
  • Rwj 22164
  • C43H67N11O12S2
  • CTK5G8413
  • CAP 476
  • ORF 22164
  • VWXRQYYUEIYXCZ-AVTFEHRISA-N
  • KST-1B9482
  • AMY25373
  • CID68613
  • AR-1A9669
  • HY-17572R
  • MFCD00672436
  • RWJ-22164
  • AN-7535
  • CS-3116
  • RW22164
  • 1-({(4r,7s,13s,16r)-7-(2-amino-2-oxoethyl)-13-[(2s)-butan-2-yl]-16-(4-ethoxybenzyl)-10-[(1r)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}carbonyl)-l-prolyl-l-ornithylglycinamide
  • HY-17572
  • C43-H67-N11-O12-S2
  • 1-Deamino-2D-tyr-(OEt)-4-thr-8-orn-oxytocin
  • LS-101135
  • NS00004044
  • 1-deamino-2-Tyr(OEt)-4-Thr-8-Orn-oxytocin
  • KS-00001863
  • D03008
  • (Mpa(1),D-Tyr(Et)2,Thr(4),Orn(8))oxytocin
  • Q421322
  • (Mpa(1)-D-Tyr(Et)(2)-Thr(4)-Orn(8))-oxytocin
  • BRD-A85261566-001-01-7
  • BRD-A85261566-001-02-5
  • oxytocin, 1-deamino-(O-Et-Tyr)(2)-Thr(4)-Orn(8)-
  • oxytocin, 1-deamino-O-ethyltyrosyl(2)-threonyl(4)-ornithine(8)-
  • 1-(3-Mercaptopropionic acid)-2-(3-(p-ethoxyphenyl)-D-alanine)-4-L-threonine-8-L-ornithineoxytocin
  • 96848-85-0
  • 1-(3-Mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithineoxytocin
  • Oxytocin, 1-(3-mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithine-
  • (2S)-N-((S)-5-amino-1-((2-amino-2-oxoethyl)amino)-1-oxopentan-2-yl)-1-((4R,7S,13S,16R)-7-(2-amino-2-oxoethyl)-13-((S)-sec-butyl)-16-(4-ethoxybenzyl)-10-((R)-1-hydroxyethyl)-6,9,12,15,
  • (2S)-N-[(1S)-4-amino-1-[(2-amino-2-oxo-ethyl)carbamoyl]butyl]-1-[(4R,7S,13S,16R)-7-(2-amino-2-oxo-ethyl)-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-13-[(1S)-1-methylpropyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carb
  • (2S)-N-[(1S)-4-amino-1-[(2-amino-2-oxo-ethyl)carbamoyl]butyl]-1-[(4R,7S,13S,16R)-7-(2-amino-2-oxo-ethyl)-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-13-[(1S)-1-methylpropyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
  • (2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
  • 18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamide