BioLiP

PDB

BioLiP

PDB CCD ID:

NCD

Number of entries in BioLiP:

Chemical formula:

C5 H8 N2 O5

InChI:

InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1

InChIKey:

HLKXYZVTANABHZ-REOHCLBHSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC(=O)N[C@@H](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C([C@@H](C(=O)O)NC(=O)N)C(=O)O
ACDLabs 10.04	O=C(O)C(NC(=O)N)CC(=O)O
OpenEye OEToolkits 1.5.0	C(C(C(=O)O)NC(=O)N)C(=O)O
CACTVS 3.341	NC(=O)N[CH](CC(O)=O)C(O)=O

Name:

N-CARBAMOYL-L-ASPARTATE

DrugBank:

DB04252

ZINC:

ZINC000000895230

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).