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- ChemComp-0Z9: N-[(benzyloxy)carbonyl]-L-leucyl-N-hydroxy-L-alaninamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 0Z9
NameName: N-[(benzyloxy)carbonyl]-L-leucyl-N-hydroxy-L-alaninamide

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BIRD information

TypePeptide-like / Inhibitor
DownloadsMolecular definition / Chemical definition

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Chemical information

Composition
Formula: C17H25N3O5 / Number of atoms: 50 / Formula weight: 351.398 / Formal charge: 0
Others

1af0

PHQ

LEU

HMA

Type: peptide-like / PDB classification: HETAIN / Three letter code: 0Z9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1AF0 / Model coordinates details: not provided / Subcomponent: PHQ, LEU, HMA
History
Create componentAug 5, 2008
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
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 10.04O=C(NO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C
CACTVS 3.341CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C)C(=O)NO
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)NC(C)C(=O)NO)NC(=O)OCc1ccccc1

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SMILES CANONICAL

CACTVS 3.341CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NO
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)NO)NC(=O)OCc1ccccc1

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InChI

InChI 1.03InChI=1S/C17H25N3O5/c1-11(2)9-14(16(22)18-12(3)15(21)20-24)19-17(23)25-10-13-7-5-4-6-8-13/h4-8,11-12,14,24H,9-10H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)/t12-,14-/m0/s1

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InChIKey

InChI 1.03GFVPLCZPHFWQIY-JSGCOSHPSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-[(benzyloxy)carbonyl]-L-leucyl-N-hydroxy-L-alaninamide
OpenEye OEToolkits 1.5.0phenylmethyl N-[(2S)-1-[[(2S)-1-(hydroxyamino)-1-oxo-propan-2-yl]amino]-4-methyl-1-oxo-pentan-2-yl]carbamate

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PDB entries

Showing all 1 items

PDB-1af0:
SERRATIA PROTEASE IN COMPLEX WITH INHIBITOR

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