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Chemical structure of (1-Adamantaneacetyl¹,D-Tyr(Et)²,Val⁴,Abu⁶, Arg⁸,⁹)-Vasopressin

GA20018

(1-Adamantaneacetyl¹,D-Tyr(Et)²,Val⁴,Abu⁶, Arg⁸,⁹)-Vasopressin

Also known as (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-(4-ethoxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-N-[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]butanediamide

This acyclic vasopressin analog is one of the most potent V? (antidiuretic) receptor antagonists known, but antagonizes also V? (vasopressor) responses to AVP

ChemicalCAS112465-00-6MW1239.53FormulaC62H94N16O11
CAS number
112465-00-6
Molecular weight
1239.53
Formula
C62H94N16O11
Solubility
Soluble in DMSO
InChIKey
LEXYSBQMSSPQTG-GZHSKDTOSA-N
Catalogue number
GA20018
Brand
GLPBIO
Computed properties PubChem CID 14310017 · XLogP 1.9 · TPSA 448 Ų · H-bond donors 13
XLogP
1.9
TPSA
448 Ų
H-bond donors
13
H-bond acceptors
13
Rotatable bonds
35
Heavy atoms
89

SMILES CC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)OCC)NC(=O)CC45CC6CC(C4)CC(C6)C5

Computed descriptors from PubChem (CID 14310017), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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