BioLiP

PDB

BioLiP

PDB CCD ID:

B7U

Number of entries in BioLiP:

Chemical formula:

C17 H19 N O

InChI:

InChI=1S/C17H19NO/c1-13(15-9-5-3-6-10-15)17(19)18-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,18,19)/t13-,14+/m0/s1

InChIKey:

ZWNCJNODOVPNTF-UONOGXRCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH](NC(=O)[CH](C)c1ccccc1)c2ccccc2
CACTVS 3.385	C[C@@H](NC(=O)[C@@H](C)c1ccccc1)c2ccccc2
OpenEye OEToolkits 2.0.6	C[C@@H](c1ccccc1)C(=O)N[C@H](C)c2ccccc2
ACDLabs 12.01	O=C(C(C)c1ccccc1)NC(C)c2ccccc2
OpenEye OEToolkits 2.0.6	CC(c1ccccc1)C(=O)NC(C)c2ccccc2

Name:

(2S)-2-phenyl-N-[(1R)-1-phenylethyl]propanamide

ZINC:

ZINC000034245301

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).