Chemical Compound

Atosiban acetate

CAS Registry Number 914453-95-5
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Atosiban acetate chemical structure
Primary Record

Atosiban acetate

In stock
7,470 g
Purity
99.8 %
CAS
914453-95-5

Compound Identifiers & Properties

CAS
914453-95-5
PubChem CID
24892851
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.CC(=O)O
Canonical SMILES
CC(=O)O.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

Names & Synonyms

  • Atosiban acetate
  • Atosiban (acetate)
  • Antocile Acetate
  • Tractocile (TN)
  • RW22164 (acetate)
  • Atosiban (acetate) (Standard)
  • DTXSID60238569
  • HY-17572AR
  • HY-17572A
  • CS-0086333
  • D07475
  • 914453-95-5
  • acetic acid;(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
  • Acetic acid--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-pentaazacycloicosane-4-carbonyl}-L-prolyl-L-ornithylglycinamide (1/1)