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Chemical structure of (d(CH₂)₅¹,D-Tyr(Et)²,Val⁴,Arg⁸,des-Gly⁹)-Vasopressin

GA20058

(d(CH₂)₅¹,D-Tyr(Et)²,Val⁴,Arg⁸,des-Gly⁹)-Vasopressin

Also known as (2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22R)-13-(2-amino-2-oxoethyl)-19-benzyl-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide

SKF 101926 is an antagonist of both the antidiuretic and vasopressor responses of vasopressin

ChemicalCAS90332-82-4MW1079.36FormulaC51H74N12O10S2
CAS number
90332-82-4
Molecular weight
1079.36
Formula
C51H74N12O10S2
Solubility
Soluble in DMSO
InChIKey
DRLYXDZRLDZVIS-XXNQTUAPSA-N
Catalogue number
GA20058
Brand
GLPBIO
Computed properties PubChem CID 122322 · XLogP 1.1 · TPSA 405 Ų · H-bond donors 10
XLogP
1.1
TPSA
405 Ų
H-bond donors
10
H-bond acceptors
13
Rotatable bonds
17
Heavy atoms
75

SMILES CCOC1=CC=C(C=C1)C[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC3(CCCCC3)CC(=O)N2)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)CC(=O)N)C(C)C)CC5=CC=CC=C5

Computed descriptors from PubChem (CID 122322), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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