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Chemical structure of Abz-Gln-Val-Val-Ala-Gly-Ala-EDDnp

GA20456

Abz-Gln-Val-Val-Ala-Gly-Ala-EDDnp

Also known as (2S)-2-[(2-aminobenzoyl)amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[2-(2,4-dinitroanilino)ethylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pentanediamide

Abz-QVVAGA-EDDnp is a FRET substrate of papain, based on the highly conserved sequence QVVAG of the cystatin family of natural inhibitors, is among the most sensitive papain substrates ever reported (kcat/Km = 29 · 10? M?¹ s?¹)

ChemicalCAS152390-52-8MW870.92FormulaC38H54N12O12
CAS number
152390-52-8
Molecular weight
870.92
Formula
C38H54N12O12
Solubility
Soluble in DMSO
InChIKey
JMODCTCFSAOKLF-HOUVTAATSA-N
Catalogue number
GA20456
Brand
GLPBIO
Computed properties PubChem CID 124224259 · XLogP 1.8 · TPSA 376 Ų · H-bond donors 10
XLogP
1.8
TPSA
376 Ų
H-bond donors
10
H-bond acceptors
14
Rotatable bonds
22
Heavy atoms
62

SMILES C[C@@H](C(=O)NCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)C2=CC=CC=C2N

Computed descriptors from PubChem (CID 124224259), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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