Z-YVAD-FMK   Click here for help

GtoPdb Ligand ID: 5302

Synonyms: benzyloxycarbonyl-Tyr-Val-Ala-Asp(OMe)-fluoromethylketone | caspase-1 Inhibitor VI
2D Structure
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SMILES / InChI / InChIKey
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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
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
methyl (3S)-5-fluoro-3-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-oxopentanoate
Synonyms Click here for help
benzyloxycarbonyl-Tyr-Val-Ala-Asp(OMe)-fluoromethylketone | caspase-1 Inhibitor VI
Database Links Click here for help
GtoPdb PubChem SID 178101984
PubChem CID 644196
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