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- ChemComp-P0H: N-[(benzyloxy)carbonyl]glycyl-L-proline -

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Basic information

EntryDatabase: PDB chemical components / ID: P0H
NameName: N-[(benzyloxy)carbonyl]glycyl-L-proline

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BIRD information

TypePeptide-like / Inhibitor
DownloadsMolecular definition / Chemical definition

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Chemical information

Composition
Formula: C15H18N2O5 / Number of atoms: 40 / Formula weight: 306.314 / Formal charge: 0
Others

1e8m

PHQ

GLY

PRO

Type: peptide-like / PDB classification: HETAIN / Three letter code: P0H / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1E8M / Subcomponent: PHQ, GLY, PRO
History
Create componentNov 12, 2010
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(N1C(C(=O)O)CCC1)CNC(=O)OCc2ccccc2
CACTVS 3.370OC(=O)[CH]1CCCN1C(=O)CNC(=O)OCc2ccccc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)COC(=O)NCC(=O)N2CCCC2C(=O)O

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SMILES CANONICAL

CACTVS 3.370OC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc2ccccc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)COC(=O)NCC(=O)N2CCC[C@H]2C(=O)O

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InChI

InChI 1.03InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)/t12-/m0/s1

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InChIKey

InChI 1.03ZTUKZKYDJMGJDC-LBPRGKRZSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[(benzyloxy)carbonyl]glycyl-L-proline
OpenEye OEToolkits 1.7.0(2S)-1-[2-(phenylmethoxycarbonylamino)ethanoyl]pyrrolidine-2-carboxylic acid

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PDB entries

Showing all 1 items

PDB-1e8m:
PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, MUTANT, COMPLEXED WITH INHIBITOR

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