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Chemical structure of (Phenylac¹,D-Tyr(Et)²,Lys⁶,Arg⁸,des-Gly⁹)-Vasopressin

GA20274

(Phenylac¹,D-Tyr(Et)²,Lys⁶,Arg⁸,des-Gly⁹)-Vasopressin

Also known as (2S)-N-[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2R)-3-(4-ethoxyphenyl)-2-[(2-phenylacetyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide

Selective and highly potent V? receptor antagonist (antivasopressor) with an antiantidiuretic/antivasopressor ED ratio of about 570

ChemicalCAS129520-65-6MW1097.29FormulaC54H76N14O11
CAS number
129520-65-6
Molecular weight
1097.29
Formula
C54H76N14O11
Solubility
Soluble in DMSO
InChIKey
PBPXAIJQDPORTG-ZRBRQIMBSA-N
Catalogue number
GA20274
Brand
GLPBIO
Computed properties PubChem CID 14730741 · XLogP -1.3 · TPSA 424 Ų · H-bond donors 12
XLogP
-1.3
TPSA
424 Ų
H-bond donors
12
H-bond acceptors
13
Rotatable bonds
34
Heavy atoms
79

SMILES CCOC1=CC=C(C=C1)C[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)CC4=CC=CC=C4

Computed descriptors from PubChem (CID 14730741), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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