OXYTOCIN
(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Molecular Identity
OXYTOCIN
(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
PubChem CID: 439302
Oxytocin is a cyclic nonapeptide hormone with amino acid sequence CYIQNCPLG that also acts as a neurotransmitter in the brain; the principal uterine-contracting and milk-ejecting hormone of the posterior pituitary. Together with the neuropeptide vasopressin, it is believed to influence social cognition and behaviour. It has a role as a vasodilator agent and an oxytocic. It is a heterodetic cyclic peptide and a peptide hormone.
2D Structure
Properties
C43H66N12O12S2
Molecular Formula
1007.20
Molecular Weight
g/mol
1006.4365
Exact Mass
Da
-2.6
XLogP
Drug-like (Lipinski: < 5)
450
TPSA
May have limited oral absorption
12
H-Bond Donors
15
H-Bond Acceptors
1870
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
OXYTOCIN50-56-6PitocinEndopituitrinaOcytocinSyntocinonOxytocinumOrasthinOxitocinaOxystinOxytocinealpha-HypophamineSynthetic oxytocinPiton S(1-Hemicystine)oxytocin
Data from PubChem (NCBI)
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