BioLiP

PDB

BioLiP

PDB CCD ID:

J0R

Number of entries in BioLiP:

Chemical formula:

C8 H18 N O2

InChI:

InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/t7-/m1/s1

InChIKey:

TXPWCDJHFBRHES-SSDOTTSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@H](C[N](C)(C)C)OC(=O)C
CACTVS 3.385	C[CH](C[N](C)(C)C)OC(C)=O
OpenEye OEToolkits 2.0.7	CC(C[N](C)(C)C)OC(=O)C
CACTVS 3.385	C[C@H](C[N](C)(C)C)OC(C)=O

Name:

[(2R)-1-(trimethyl-$l^4-azanyl)propan-2-yl] ethanoate

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).