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Chemical structure of Ota-vasotocin

GA20061

Ota-vasotocin

Also listed as (d(CH₂)₅¹,Tyr(Me)²,Thr⁴,Orn⁸,Tyr-NH₂⁹)-Vasotocin

The oxytocin antagonist OVTA shows enhanced affinity for rat uterine oxytocin receptors after iodination

ChemicalCAS114056-26-7MW1154.42FormulaC54H79N11O13S2
CAS number
114056-26-7
Molecular weight
1154.42
Formula
C54H79N11O13S2
Solubility
Soluble in DMSO
InChIKey
XHDMXBLPNDFGOB-YKVWRKJBSA-N
Catalogue number
GA20061
Brand
GLPBIO
Computed properties PubChem CID 3081047 · XLogP 0.6 · TPSA 419 Ų · H-bond donors 13
XLogP
0.6
TPSA
419 Ų
H-bond donors
13
H-bond acceptors
16
Rotatable bonds
31
Heavy atoms
80

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C=S)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)CC4(CCCCC4)S

Computed descriptors from PubChem (CID 3081047), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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