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Chemical structure of (Val³,Pro?)-Oxytocin

GA24054

(Val³,Pro?)-Oxytocin

Also known as (2S)-1-[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide

The I3V/L8P variant of oxytocin binding to the OT and AVP V1 receptors is produced by the Saguinus genus of the Callitrichidae family of New World monkeys

ChemicalCAS2134138-89-7MW977.12
CAS number
2134138-89-7
Molecular weight
977.12
Formula
—
InChIKey
MKUDLHWRPHCLGX-ZDRVBFMLSA-N
Catalogue number
GA24054
Brand
GLPBIO
Computed properties PubChem CID 168432159 · XLogP -3.9 · TPSA 441 Ų · H-bond donors 11
XLogP
-3.9
TPSA
441 Ų
H-bond donors
11
H-bond acceptors
15
Rotatable bonds
13
Heavy atoms
67

SMILES CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N

Computed descriptors from PubChem (CID 168432159), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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