BioLiP

PDB

BioLiP

PDB CCD ID:

URQ

Number of entries in BioLiP:

Chemical formula:

C5 H10 N2 O3

InChI:

InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/t3-/m0/s1

InChIKey:

PHENTZNALBMCQD-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH](CNC(N)=O)C(O)=O
ACDLabs 12.01	O=C(NCC(C(=O)O)C)N
OpenEye OEToolkits 1.7.6	CC(CNC(=O)N)C(=O)O
OpenEye OEToolkits 1.7.6	C[C@@H](CNC(=O)N)C(=O)O
CACTVS 3.385	C[C@@H](CNC(N)=O)C(O)=O

Name:

(2S)-3-(carbamoylamino)-2-methylpropanoic acid

ZINC:

ZINC000094437770

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).