BioLiP

PDB

BioLiP

PDB CCD ID:

OGG

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O4

InChI:

InChI=1S/C6H12N2O4/c7-5(9)3-11-1-2-12-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)

InChIKey:

XEXSGNBDGFXDDF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(COCC(=O)N)OCC(=O)N
CACTVS 3.341	NC(=O)COCCOCC(N)=O
ACDLabs 10.04	O=C(N)COCCOCC(=O)N

Name:

2-(2-CARBAMOYLMETHOXY-ETHOXY)-ACETAMIDE

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).