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Chemical structure of (d(CH₂)₅¹,Tyr(Me)²,Thr⁴,Orn⁸,des-Gly-NH₂⁹)-Vasotocin

GA20060

(d(CH₂)₅¹,Tyr(Me)²,Thr⁴,Orn⁸,des-Gly-NH₂⁹)-Vasotocin

Also known as methyl (2S)-5-amino-2-[[(2S)-1-[(2R)-2-[[(2S)-4-amino-2-[[(2S,3R)-3-hydroxy-2-[[(2S,3S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-(2-sulfanylidenecyclohexyl)acetyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]pentanoate

OTA (dOVT), a potent and selective in vivo oxytocin antagonist

ChemicalCAS115499-13-3MW992.23FormulaC45H69N9O12S2
CAS number
115499-13-3
Molecular weight
992.23
Formula
C45H69N9O12S2
Solubility
Soluble in DMSO
InChIKey
GTCCRRPRDFVDJK-YMZDKENSSA-N
Catalogue number
GA20060
Brand
GLPBIO
Computed properties PubChem CID 3082727 · XLogP -0.3 · TPSA 364 Ų · H-bond donors 11
XLogP
-0.3
TPSA
364 Ų
H-bond donors
11
H-bond acceptors
15
Rotatable bonds
27
Heavy atoms
68

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](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)OC)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CC3CCCCC3=S

Computed descriptors from PubChem (CID 3082727), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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