BioLiP

PDB

BioLiP

PDB CCD ID:

A1L7L

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O2

InChI:

InChI=1S/C8H15NO2/c1-9-7(8(10)11)5-6-3-2-4-6/h6-7,9H,2-5H2,1H3,(H,10,11)/t7-/m0/s1

InChIKey:

FWFFEJNSBQYNAZ-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN[C@@H](CC1CCC1)C(=O)O
OpenEye OEToolkits 2.0.7	CNC(CC1CCC1)C(=O)O
CACTVS 3.385	CN[C@@H](CC1CCC1)C(O)=O
CACTVS 3.385	CN[CH](CC1CCC1)C(O)=O

Name:

(2~{S})-3-cyclobutyl-2-(methylamino)propanoic acid;
N-methyl-L-cyclobutylalanine

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).