BioLiP

PDB

BioLiP

PDB CCD ID:

O6H

Number of entries in BioLiP:

Chemical formula:

C12 H17 N O2

InChI:

InChI=1S/C12H17NO2/c1-7-4-8(2)10(9(3)5-7)6-11(13)12(14)15/h4-5,11H,6,13H2,1-3H3,(H,14,15)/t11-/m0/s1

InChIKey:

CRNOZLNQYAUXRK-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cc(C)c(C[CH](N)C(O)=O)c(C)c1
OpenEye OEToolkits 2.0.7	Cc1cc(c(c(c1)C)CC(C(=O)O)N)C
CACTVS 3.385	Cc1cc(C)c(C[C@H](N)C(O)=O)c(C)c1
OpenEye OEToolkits 2.0.7	Cc1cc(c(c(c1)C)C[C@@H](C(=O)O)N)C

Name:

2,4,6-trimethyl-L-phenylalanine;
(2~{S})-2-azanyl-3-(2,4,6-trimethylphenyl)propanal

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).