atosiban

Ligand id: 2213

Name: atosiban

Structure and Physico-chemical Properties

2D Structure
Classification
Compound class Peptide or derivative
Approved drug? Yes
IUPAC Name
(2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
International Nonproprietary Names
INN number INN
6392 atosiban
Synonyms
Antocin® | d[D-Tyr(Et)2,Thr4,Orn8]vasotocin | d[D-Tyr(Et)2,Thr4]OVT | ORF22164 | RWJ 22164 | Tractocile®
Database Links
CAS Registry No. 90779-69-4 (source: Scifinder)
ChEMBL Ligand CHEMBL382301
GtoPdb PubChem SID 135652002
PubChem CID 5311010
Search Google for chemical match using the InChIKey VWXRQYYUEIYXCZ-OBIMUBPZSA-N
Search Google for chemicals with the same backbone VWXRQYYUEIYXCZ
Search PubMed clinical trials atosiban
Search PubMed titles atosiban
Search PubMed titles/abstracts atosiban
Search UniChem for chemical match using the InChIKey VWXRQYYUEIYXCZ-OBIMUBPZSA-N
Search UniChem for chemicals with the same backbone VWXRQYYUEIYXCZ
Wikipedia Atosiban
Comments
A synthetic analogue of oxytocin. There is some ambiguity over the exact stereochemistry of atosiban. Another representation is CID 68613.