BioLiP

PDB

BioLiP

PDB CCD ID:

BXT

Number of entries in BioLiP:

Chemical formula:

C7 H14 N2 O4

InChI:

InChI=1S/C7H14N2O4/c1-3-9(2)7(12)13-4-5(8)6(10)11/h5H,3-4,8H2,1-2H3,(H,10,11)/t5-/m0/s1

InChIKey:

UYBASDIYBHKZCX-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCN(C)C(=O)OC[C@@H](C(=O)O)N
CACTVS 3.385	CCN(C)C(=O)OC[CH](N)C(O)=O
CACTVS 3.385	CCN(C)C(=O)OC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.6	CCN(C)C(=O)OCC(C(=O)O)N

Name:

(2~{S})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic 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).