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Chemical structure of (Propionyl¹,D-Tyr(Et)²,Val⁴,Abu⁶,Arg⁸,⁹)-Vasopressin

GA20281

(Propionyl¹,D-Tyr(Et)²,Val⁴,Abu⁶,Arg⁸,⁹)-Vasopressin

Also known as (2S)-N-[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-(4-ethoxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]butanediamide

This linear vasopressin analog is as potent a V? (antidiuretic) antagonist as its cyclic parent compound· Its V? (vasopressor) antagonism, however, is significantly reduced, resulting in a promising anti-V?/anti-V? selectivity

ChemicalCAS121250-95-1MW1119.34FormulaC53H82N16O11
CAS number
121250-95-1
Molecular weight
1119.34
Formula
C53H82N16O11
Solubility
Soluble in DMSO
InChIKey
MVBVPHFFZQUTBB-RIKPAVIRSA-N
Catalogue number
GA20281
Brand
GLPBIO
Computed properties PubChem CID 14310031 · XLogP -1 · TPSA 448 Ų · H-bond donors 13
XLogP
-1
TPSA
448 Ų
H-bond donors
13
H-bond acceptors
13
Rotatable bonds
34
Heavy atoms
80

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

Computed descriptors from PubChem (CID 14310031), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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