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Chemical structure of (d(CH₂)₅¹,D-Ile²,Ile⁴,Arg⁸,Ala-NH₂⁹)-Vasopressin

GA20057

(d(CH₂)₅¹,D-Ile²,Ile⁴,Arg⁸,Ala-NH₂⁹)-Vasopressin

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

This vasopressin analog is about 83 times more potent as an antidiuretic antagonist (anti-V?) than as a vasopressor antagonist (anti-V?)

ChemicalCAS114455-29-7MW1086.39FormulaC50H79N13O10S2
CAS number
114455-29-7
Molecular weight
1086.39
Formula
C50H79N13O10S2
Solubility
Soluble in DMSO
InChIKey
KMCKIEDFUPSBKT-HXJHZXDFSA-N
Catalogue number
GA20057
Brand
GLPBIO
Computed properties PubChem CID 102601551 · XLogP 0.6 · TPSA 425 Ų · H-bond donors 11
XLogP
0.6
TPSA
425 Ų
H-bond donors
11
H-bond acceptors
13
Rotatable bonds
18
Heavy atoms
75

SMILES CC[C@@H](C)[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC2(CCCCC2)CC(=O)N1)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N)CC(=O)N)[C@@H](C)CC)CC4=CC=CC=C4

Computed descriptors from PubChem (CID 102601551), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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