BioLiP

PDB

BioLiP

PDB CCD ID:

JGJ

Number of entries in BioLiP:

Chemical formula:

C11 H15 N O2

InChI:

InChI=1S/C11H15NO2/c1-9(12-11(13)8-14-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m1/s1

InChIKey:

LJEDIKNIRTZHGK-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C[C@H](c1ccccc1)NC(=O)COC
CACTVS 3.385	COCC(=O)N[C@H](C)c1ccccc1
ACDLabs 12.01	C(NC(C)c1ccccc1)(=O)COC
OpenEye OEToolkits 2.0.6	CC(c1ccccc1)NC(=O)COC
CACTVS 3.385	COCC(=O)N[CH](C)c1ccccc1

Name:

2-methoxy-N-[(1R)-1-phenylethyl]acetamide

ZINC:

ZINC000000361814

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).