BioLiP

PDB

BioLiP

PDB CCD ID:

ZAH

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C(=O)N1CCCC1C(=O)O)NC(=O)OCc2ccccc2
OpenEye OEToolkits 1.5.0	C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCc2ccccc2
CACTVS 3.341	C[CH](NC(=O)OCc1ccccc1)C(=O)N2CCC[CH]2C(O)=O
CACTVS 3.341	C[C@H](NC(=O)OCc1ccccc1)C(=O)N2CCC[C@H]2C(O)=O
ACDLabs 10.04	O=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, Lydia 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).