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Chemical structure of Z-Tyr-Val-Ala-Asp-AFC

GA23957

Z-Tyr-Val-Ala-Asp-AFC

Also known as (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-oxo-4-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]butanoic acid

The presence of halogen substituents at the fluorescent group improves membrane permeability of the YVAD-derived caspase-1 substrate Z-YVAD-AFC

ChemicalCAS201608-13-1MW811.77FormulaC39H40F3N5O11
CAS number
201608-13-1
Molecular weight
811.77
Formula
C39H40F3N5O11
Solubility
Soluble in DMSO
InChIKey
QUINXAFKWYKRPT-FNGAAQSASA-N
Catalogue number
GA23957
Brand
GLPBIO
Computed properties PubChem CID 25108563 · XLogP 3.7 · TPSA 239 Ų · H-bond donors 7
XLogP
3.7
TPSA
239 Ų
H-bond donors
7
H-bond acceptors
14
Rotatable bonds
17
Heavy atoms
58

SMILES C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)OCC4=CC=CC=C4

Computed descriptors from PubChem (CID 25108563), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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