BioLiP

PDB

BioLiP

PDB CCD ID:

M9L

Number of entries in BioLiP:

Chemical formula:

C9 H10 N2 O4

InChI:

InChI=1S/C9H10N2O4/c10-9(15)11-7(8(13)14)5-1-3-6(12)4-2-5/h1-4,7,12H,(H,13,14)(H3,10,11,15)/t7-/m1/s1

InChIKey:

GSHIDXLOTQDUAV-SSDOTTSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C(C(=O)O)NC(=O)N)O
CACTVS 3.385	NC(=O)N[CH](C(O)=O)c1ccc(O)cc1
CACTVS 3.385	NC(=O)N[C@@H](C(O)=O)c1ccc(O)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1[C@H](C(=O)O)NC(=O)N)O

Name:

(2~{R})-2-(aminocarbonylamino)-2-(4-hydroxyphenyl)ethanoic acid

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).