Chemical Compound

Atosiban

CAS Registry Number 90779-69-4
Atosiban chemical structure
Primary Record

Atosiban

In stock
5,181 g
Purity
99.5 %
CAS
90779-69-4

Compound Identifiers & Properties

CAS
90779-69-4
PubChem CID
53486175
SMILES
CC[C@H](C)C1C(=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)NC(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)NC(CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)C([C@@H](C)O)NC(=O)C([C@@H](C)CC)NC2=O)cc1

Names & Synonyms

  • Atosiban
  • Atosibanum
  • Tractocile
  • Atosiban acetate
  • dTVT
  • Atosiban [USAN:INN]
  • Atosibanum [INN-Latin]
  • Atosiban [USAN:INN:BAN]
  • UNII-081D12SI0Z
  • C43H67N11O12S2
  • ORF 22164
  • AKOS025402422
  • AC-8907
  • C43-H67-N11-O12-S2
  • 1-Deamino-2D-tyr-(OEt)-4-thr-8-orn-oxytocin
  • 90779-69-4
  • 1-(3-Mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithineoxytocin
  • 1-(3-Mercaptopropionic acid)-2-(3-(p-ethoxyphenyl)-D-alanine)-4-L-threonine-8-L-ornithineoxytocin