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BioLiP

PDB CCD ID: ZAH
Number of entries in BioLiP: 4
Chemical formula: C16 H20 N2 O5
InChI: InChI=1S/C16H20N2O5/c1-11(14(19)18-9-5-8-13(18)15(20)21)17-16(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,22)(H,20,21)/t11-,13-/m0/s1
InChIKey: RSSOZTMMMIWOJB-AAEUAGOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)N1CCCC1C(=O)O)NC(=O)OCc2ccccc2
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCc2ccccc2
CACTVS 3.341C[CH](NC(=O)OCc1ccccc1)C(=O)N2CCC[CH]2C(O)=O
CACTVS 3.341C[C@H](NC(=O)OCc1ccccc1)C(=O)N2CCC[C@H]2C(O)=O
ACDLabs 10.04O=C(O)C2N(C(=O)C(NC(=O)OCc1ccccc1)C)CCC2
Name:N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-PROLINE;
Z-ALA PROLINAL
DrugBank: DB04033
ZINC: ZINC000001575977
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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