BioLiP

PDB

BioLiP

PDB CCD ID:

0Z9

Number of entries in BioLiP:

Chemical formula:

C17 H25 N3 O5

InChI:

InChI=1S/C17H25N3O5/c1-11(2)9-14(16(22)18-12(3)15(21)20-24)19-17(23)25-10-13-7-5-4-6-8-13/h4-8,11-12,14,24H,9-10H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)/t12-,14-/m0/s1

InChIKey:

GFVPLCZPHFWQIY-JSGCOSHPSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)NO)NC(=O)OCc1ccccc1
ACDLabs 10.04	O=C(NO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C
CACTVS 3.341	CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NO
OpenEye OEToolkits 1.5.0	CC(C)CC(C(=O)NC(C)C(=O)NO)NC(=O)OCc1ccccc1
CACTVS 3.341	CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C)C(=O)NO

Name:

N-[(benzyloxy)carbonyl]-L-leucyl-N-hydroxy-L-alaninamide

ZINC:

ZINC000098207902

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).