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- ChemComp-ZPR: N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: ZPR
NameName: N-benzyloxycarbonyl-L-prolyl-L-prolinal / Synonyms: Z-PRO-PROLINAL

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BIRD information

TypePeptide-like / Inhibitor
DownloadsMolecular definition / Chemical definition

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Chemical information

Composition
Formula: C18H22N2O4 / Number of atoms: 46 / Formula weight: 330.378 / Formal charge: 0
Others

1qfs

PHQ

PRO

PRI

Type: PEPTIDE-LIKE / PDB classification: HETAIN / Three letter code: ZPR / Model coordinates PDB-ID: 1QFS / Subcomponent: PHQ, PRO, PRI
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify subcomponent listJun 16, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / DrugBank / Nikkaji / PubChem / SureChEMBL / ZINC / 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(N1C(C=O)CCC1)C3N(C(=O)OCc2ccccc2)CCC3
CACTVS 3.341O=C[CH]1CCCN1C(=O)[CH]2CCCN2C(=O)OCc3ccccc3
OpenEye OEToolkits 1.5.0c1ccc(cc1)COC(=O)N2CCCC2C(=O)N3CCCC3C=O

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SMILES CANONICAL

CACTVS 3.341O=C[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3
OpenEye OEToolkits 1.5.0c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C=O

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InChI

InChI 1.03InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1

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InChIKey

InChI 1.03ORZXYSPOAVJYRU-HOTGVXAUSA-N

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SYSTEMATIC NAME

ACDLabs 10.04benzyl (2S)-2-{[(2S)-2-formylpyrrolidin-1-yl]carbonyl}pyrrolidine-1-carboxylate
OpenEye OEToolkits 1.5.0phenylmethyl (2S)-2-[(2S)-2-methanoylpyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate

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