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Chemical structure of (Deamino-Cys¹,Val⁴,D-Arg⁸)-Vasopressin

GA20083

(Deamino-Cys¹,Val⁴,D-Arg⁸)-Vasopressin

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

Highly potent, long-lasting antidiuretic agonist essentially devoid of vasopressor activity

ChemicalCAS43157-23-9MW1040.24FormulaC46H65N13O11S2
CAS number
43157-23-9
Molecular weight
1040.24
Formula
C46H65N13O11S2
Solubility
Soluble in DMSO
InChIKey
KEBRFHAVFOSSOX-WSFLLCRESA-N
Catalogue number
GA20083
Brand
GLPBIO
Computed properties PubChem CID 44419026 · XLogP -1.9 · TPSA 445 Ų · H-bond donors 12
XLogP
-1.9
TPSA
445 Ų
H-bond donors
12
H-bond acceptors
14
Rotatable bonds
17
Heavy atoms
72

SMILES CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N

Computed descriptors from PubChem (CID 44419026), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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