Z-YVAD-FMK   Click here for help

GtoPdb Ligand ID: 5302

Synonyms: benzyloxycarbonyl-Tyr-Val-Ala-Asp(OMe)-fluoromethylketone | caspase-1 Inhibitor VI
Compound class: Peptide
2D Structure
Click here for help
Click here for structure editor
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES COC(=O)CC(C(=O)CF)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(Cc1ccc(cc1)O)NC(=O)OCc1ccccc1)C
Isomeric SMILES COC(=O)C[C@@H](C(=O)CF)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc1ccccc1)C
InChI InChI=1S/C31H39FN4O9/c1-18(2)27(30(42)33-19(3)28(40)34-23(25(38)16-32)15-26(39)44-4)36-29(41)24(14-20-10-12-22(37)13-11-20)35-31(43)45-17-21-8-6-5-7-9-21/h5-13,18-19,23-24,27,37H,14-17H2,1-4H3,(H,33,42)(H,34,40)(H,35,43)(H,36,41)/t19-,23-,24-,27-/m0/s1
InChI Key MVPQJUFFTWWKBT-LBDWYMBGSA-N
References
1. Avivi-Green C, Polak-Charcon S, Madar Z, Schwartz B. (2002)
Different molecular events account for butyrate-induced apoptosis in two human colon cancer cell lines.
J Nutr, 132 (7): 1812-8. [PMID:12097652]