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Chemical structure of (Deamino-Pen¹,Val⁴,D-Arg⁸)-Vasopressin

GA20087

(Deamino-Pen¹,Val⁴,D-Arg⁸)-Vasopressin

Also known as N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide

Potent V? receptor antagonist (antivasopressor) showing moderate, but prolonged antidiuretic activity as compared to AVP

ChemicalCAS64158-84-5MW1068.29FormulaC48H69N13O11S2
CAS number
64158-84-5
Molecular weight
1068.29
Formula
C48H69N13O11S2
Solubility
Soluble in DMSO
InChIKey
CKIJDBDQGBFBFJ-UHFFFAOYSA-N
Catalogue number
GA20087
Brand
GLPBIO
Computed properties PubChem CID 3081540 · XLogP -1.3 · TPSA 445 Ų · H-bond donors 12
XLogP
-1.3
TPSA
445 Ų
H-bond donors
12
H-bond acceptors
14
Rotatable bonds
17
Heavy atoms
74

SMILES CC(C)C1C(=O)NC(C(=O)NC(CSSC(CC(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)(C)C)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N

Computed descriptors from PubChem (CID 3081540), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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