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Chemical structure of Epiamastatin · HCl

GA21426

Epiamastatin · HCl

Also known as (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3R)-3-amino-2-hydroxy-5-methylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid;hydrochloride

Epi-Amastatin is a diastereoepimer of the effective peptidase inhibitor amastatin (N-1410) and differs structurally by a single transposition of the OH group with H atom at C?· Compared with N-1410, epiamastatin is pharmacologically inactive· CAS Number (net): 73465-23-3

ChemicalCAS100992-59-4MW511.02FormulaC21H38N4O8 · HCl
CAS number
100992-59-4
Molecular weight
511.02
Formula
C21H38N4O8 · HCl
Solubility
Soluble in DMSO
InChIKey
GBDUPCKQTDKNLS-TXUMRZAQSA-N
Catalogue number
GA21426
Brand
GLPBIO
Computed properties PubChem CID 24203251 · TPSA 208 Ų · H-bond donors 8 · H-bond acceptors 9
TPSA
208 Ų
H-bond donors
8
H-bond acceptors
9
Rotatable bonds
14
Heavy atoms
34

SMILES CC(C)C[C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)O)N.Cl

Computed descriptors from PubChem (CID 24203251), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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