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- ChemComp-FBO: L-phenylalanyl-N6-[(benzyloxy)carbonyl]-N1-hydroxy-L-lysinamide -

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Basic information

EntryDatabase: PDB chemical components / ID: FBO
NameName: L-phenylalanyl-N6-[(benzyloxy)carbonyl]-N1-hydroxy-L-lysinamide

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Chemical information

Composition
Formula: C23H30N4O5 / Number of atoms: 62 / Formula weight: 442.508 / Formal charge: 0
Others

3q7j

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FBO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3Q7J
History
Create componentJan 24, 2011
Modify nameJan 28, 2011
Other modificationJan 28, 2011
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 12.01O=C(NO)C(NC(=O)C(N)Cc1ccccc1)CCCCNC(=O)OCc2ccccc2
CACTVS 3.370N[CH](Cc1ccccc1)C(=O)N[CH](CCCCNC(=O)OCc2ccccc2)C(=O)NO
OpenEye OEToolkits 1.7.0c1ccc(cc1)CC(C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)NO)N

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SMILES CANONICAL

CACTVS 3.370N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)NO
OpenEye OEToolkits 1.7.0c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)NO)N

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InChI

InChI 1.03InChI=1S/C23H30N4O5/c24-19(15-17-9-3-1-4-10-17)21(28)26-20(22(29)27-31)13-7-8-14-25-23(30)32-16-18-11-5-2-6-12-18/h1-6,9-12,19-20,31H,7-8,13-16,24H2,(H,25,30)(H,26,28)(H,27,29)/t19-,20-/m0/s1

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InChIKey

InChI 1.03YGHNIVJEKSKDJB-PMACEKPBSA-N

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SYSTEMATIC NAME

ACDLabs 12.01L-phenylalanyl-N~6~-[(benzyloxy)carbonyl]-N-hydroxy-L-lysinamide
OpenEye OEToolkits 1.7.0phenylmethyl N-[(5S)-5-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-6-(hydroxyamino)-6-oxo-hexyl]carbamate

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PDB entries

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PDB-3q7j:
Engineered Thermoplasma Acidophilum F3 factor mimics human aminopeptidase N (APN) as a target for anticancer drug development

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