Primary Record
Atosiban
- In stock
- 5,181 g
- Purity
- 99.5 %
- CAS
- 90779-69-4
Compound Identifiers & Properties
- CAS
- 90779-69-4
- PubChem CID
- 133612094
- SMILES
- CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NC(C(=O)NC(CSSCCC(=O)NC(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(CC2NC(=O)CCSSCC(C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1
Names & Synonyms
- Atosiban
- C43H67N11O12S2
- MFCD00672436
- 90779-69-4
- (2S)-N-[(1S)-4-amino-1-[(2-amino-2-oxo-ethyl)carbamoyl]butyl]-1-[(10S,13S)-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