BioLiP

PDB

BioLiP

PDB CCD ID:

A1A5T

Number of entries in BioLiP:

Chemical formula:

C11 H23 N O3

InChI:

InChI=1S/C11H23NO3/c1-4-5-6-15-8-9(2)7-10(12-3)11(13)14/h9-10,12H,4-8H2,1-3H3,(H,13,14)/t9-,10-/m0/s1

InChIKey:

MGCKTHOZOXZKEC-UWVGGRQHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCOC[C@@H](C)C[C@@H](C(=O)O)NC
CACTVS 3.385	CCCCOC[CH](C)C[CH](NC)C(O)=O
CACTVS 3.385	CCCCOC[C@@H](C)C[C@H](NC)C(O)=O
OpenEye OEToolkits 2.0.7	CCCCOCC(C)CC(C(=O)O)NC
ACDLabs 14.52	CNC(CC(C)COCCCC)C(=O)O

Name:

(4S)-5-butoxy-N-methyl-L-leucine

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).