BioLiP

PDB

BioLiP

PDB CCD ID:

L61

Number of entries in BioLiP:

Chemical formula:

C14 H19 N O3

InChI:

InChI=1S/C14H19NO3/c1-11(2)10-18-14(17)15-13(8-9-16)12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,15,17)/t13-/m1/s1

InChIKey:

DANIFTQCKXMYRY-CYBMUJFWSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.9.2	CC(C)COC(=O)N[C@H](CC=O)c1ccccc1
OpenEye OEToolkits 1.9.2	CC(C)COC(=O)NC(CC=O)c1ccccc1
ACDLabs 12.01	O=C(OCC(C)C)NC(c1ccccc1)CC=O
CACTVS 3.385	CC(C)COC(=O)N[CH](CC=O)c1ccccc1

Name:

2-methylpropyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate

ZINC:

ZINC000095921011

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).