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- BIRD-PRD_001082: Tripeptide fluoromethyl ketone inhibitor Z-VAE(OMe)-FMK -

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_001082
StatusStatus: REF ONLY
NameTripeptide fluoromethyl ketone inhibitor Z-VAE(OMe)-FMK

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BIRD information

TypePeptide-like / Inhibitor
DownloadsMolecular definition / Chemical definition / Family definition
Synonyms
  • AC1NUZMF (PubChem)
  • L-alaninamide, N-[(phenylmethoxy)carbonyl]-L-valyl-N-[(1S)-1-(fluoroacetyl)-4-methoxy-4-oxobutyl]-methyl (4S)-6-fluoro-4-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-5-oxohexanoate (PubChem)
  • VAEFMK (PDB)
  • Z-VAE(OMe)-FMK (PDB)
Annotation
  • Function: inhibitor of ubiquitin carboxy-terminal hydrolase L1, EC: 3.4.19.12EC: inhibitor of ubiquitin carboxy-terminal hydrolase L1, EC: 3.4.19.12 / Info source: PubMed: 22617491
External info
FamilyVAD-fluoromethylketone

N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide / Tripeptide fluoromethyl ketone inhibitor Z-VAE(OMe)-FMK

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Chemical information

Composition
Formula: C23H32FN3O7 / Formula weight: 481.514
OthersType: peptide-like
History
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01FCC(=O)C(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C)CCC(=O)OC
CACTVS 3.370COC(=O)CC[CH](NC(=O)[CH](C)NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)C)C(=O)CF
OpenEye OEToolkits 1.7.6CC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)OC)C(=O)CF)NC(=O)OCc1ccccc1

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SMILES CANONICAL

CACTVS 3.370COC(=O)CC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)CF
OpenEye OEToolkits 1.7.6C[C@@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)CF)NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1

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InChI

InChI 1.03InChI=1S/C23H32FN3O7/c1-14(2)20(27-23(32)34-13-16-8-6-5-7-9-16)22(31)25-15(3)21(30)26-17(18(28)12-24)10-11-19(29)33-4/h5-9,14-15,17,20H,10-13H2,1-4H3,(H,25,31)(H,26,30)(H,27,32)

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InChIKey

InChI 1.03VBAAQBLMAIONMC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-1-fluoro-6-methoxy-2,6-dioxohexan-3-yl]-L-alaninamide
OpenEye OEToolkits 1.7.6methyl (4S)-6-fluoranyl-4-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-5-oxidanylidene-hexanoate

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PDB entries

Showing all 1 items

PDB-4dm9:
The Crystal Structure of Ubiquitin Carboxy-terminal hydrolase L1 (UCHL1) bound to a tripeptide fluoromethyl ketone Z-VAE(OMe)-FMK

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