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Chemical structure of Abz-Ala-Pro-Glu-Glu-Ile-Met-Arg-Arg-Gln-EDDnp

GC42683

Abz-Ala-Pro-Glu-Glu-Ile-Met-Arg-Arg-Gln-EDDnp

Also known as (4S)-4-[[(2S)-1-[(2S)-2-[(2-aminobenzoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[2-(2,4-dinitroanilino)ethylamino]-1,5-dioxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Abz-Ala-Pro-Glu-Glu-Ile-Met-Arg-Arg-Gln-EDDnp is a fluorescence-quenched peptide substrate for human neutrophil elastase (kcat/Km = 531 mM-1s-1)

ChemicalCAS824405-61-0MW1456.6FormulaC61H93N21O19S
CAS number
824405-61-0
Molecular weight
1456.6
Formula
C61H93N21O19S
Solubility
Water： Soluble
InChIKey
YENMYQHRKVAJCS-GMUSKWQMSA-N
Catalogue number
GC42683
Brand
GLPBIO
Computed properties PubChem CID 132285169 · XLogP -1.6 · TPSA 684 Ų · H-bond donors 18
XLogP
-1.6
TPSA
684 Ų
H-bond donors
18
H-bond acceptors
24
Rotatable bonds
44
Heavy atoms
102

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)C3=CC=CC=C3N

Computed descriptors from PubChem (CID 132285169), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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