BioLiP

PDB

BioLiP

PDB CCD ID:

0AG

Number of entries in BioLiP:

Chemical formula:

C9 H17 N O4

InChI:

InChI=1S/C9H17NO4/c1-4-14-9(13)10-7(8(11)12)5-6(2)3/h6-7H,4-5H2,1-3H3,(H,10,13)(H,11,12)/t7-/m0/s1

InChIKey:

WJYLMMNPQWEDQG-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CCOC(=O)N[C@@H](CC(C)C)C(O)=O
OpenEye OEToolkits 1.7.0	CCOC(=O)N[C@@H](CC(C)C)C(=O)O
CACTVS 3.370	CCOC(=O)N[CH](CC(C)C)C(O)=O
OpenEye OEToolkits 1.7.0	CCOC(=O)NC(CC(C)C)C(=O)O
ACDLabs 12.01	O=C(OCC)NC(C(=O)O)CC(C)C

Name:

N-(ethoxycarbonyl)-L-leucine

DrugBank:

DB06839

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).