Atosiban
(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-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Molecular Identity
Atosiban
(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-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
PubChem CID: 5311010
Atosiban is an oligopeptide.
2D Structure
Properties
C43H67N11O12S2
Molecular Formula
994.20
Molecular Weight
g/mol
993.4412
Exact Mass
Da
-1.9
XLogP
Drug-like (Lipinski: < 5)
416
TPSA
May have limited oral absorption
11
H-Bond Donors
15
H-Bond Acceptors
1770
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Atosiban90779-69-4AntocinTractocileAntocin IItractocilRwj 22164AntocileAtosibanumORF 22164Orf-22164RWJ-22164CAP-4761-Deamino-2D-tyr-(OEt)-4-thr-8-orn-oxytocinDTXSID8048991
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Atosiban
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