BioLiP

PDB

BioLiP

PDB CCD ID:

A1JEU

Number of entries in BioLiP:

Chemical formula:

C12 H18 N2 O5

InChI:

InChI=1S/C12H18N2O5/c1-12(2,3)11(17)14-7(5-15)9-13-8(6-19-9)10(16)18-4/h6-7,15H,5H2,1-4H3,(H,14,17)/t7-/m1/s1

InChIKey:

PHFVLKFIBVHYFY-SSDOTTSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)(C)C(=O)NC(CO)c1nc(co1)C(=O)OC
CACTVS 3.385	COC(=O)c1coc(n1)[CH](CO)NC(=O)C(C)(C)C
OpenEye OEToolkits 2.0.7	CC(C)(C)C(=O)N[C@H](CO)c1nc(co1)C(=O)OC
CACTVS 3.385	COC(=O)c1coc(n1)[C@@H](CO)NC(=O)C(C)(C)C

Name:

methyl 2-[(1~{R})-1-(2,2-dimethylpropanoylamino)-2-oxidanyl-ethyl]-1,3-oxazole-4-carboxylate

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).