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Chemical structure of Eglin c (60-63)-methyl ester

GA21416

Eglin c (60-63)-methyl ester

Also known as methyl (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate

The tetrapeptide TNVV methyl ester is a specific inhibitor of human leukocyte elastase (Ki = 0·16 mM) without affecting porcine pancreatic elastase, cathepsin G, or chymotrypsin

ChemicalCAS131696-94-1MW445.52FormulaC19H35N5O7
CAS number
131696-94-1
Molecular weight
445.52
Formula
C19H35N5O7
Solubility
Soluble in DMSO
InChIKey
DNARUNJLGFXUOM-GCPZOVCVSA-N
Catalogue number
GA21416
Brand
GLPBIO
Computed properties PubChem CID 14752577 · XLogP -1.4 · TPSA 203 Ų · H-bond donors 6
XLogP
-1.4
TPSA
203 Ų
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
31

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

Computed descriptors from PubChem (CID 14752577), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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