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Chemical structure of Abz-Ala-Phe-Arg-Phe-Ser-Gln-EDDnp

GA20451

Abz-Ala-Phe-Arg-Phe-Ser-Gln-EDDnp

Also known as (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminobenzoyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-N-[2-(2,4-dinitroanilino)ethyl]pentanediamide

Abz-AFRFSQ-EDDnp, best human kallikrein 6 (hK6) FRET substrate so far described (kcat = 11·6 s?¹, Km = 0·3 µM, kcat/Km = 38667 mM?¹s?¹)

ChemicalCAS1926163-28-1MW1082.14FormulaC50H63N15O13
CAS number
1926163-28-1
Molecular weight
1082.14
Formula
C50H63N15O13
Solubility
Soluble in DMSO
InChIKey
BVGHKSSLAJMJQO-AZEINWDJSA-N
Catalogue number
GA20451
Brand
GLPBIO
Computed properties PubChem CID 132939749 · XLogP 1.2 · TPSA 461 Ų · H-bond donors 13
XLogP
1.2
TPSA
461 Ų
H-bond donors
13
H-bond acceptors
16
Rotatable bonds
29
Heavy atoms
78

SMILES C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)NCCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C4=CC=CC=C4N

Computed descriptors from PubChem (CID 132939749), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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