BioLiP

PDB

BioLiP

PDB CCD ID:

L62

Number of entries in BioLiP:

Chemical formula:

C15 H19 N O3

InChI:

InChI=1S/C15H19NO3/c17-11-10-14(12-6-2-1-3-7-12)16-15(18)19-13-8-4-5-9-13/h1-3,6-7,11,13-14H,4-5,8-10H2,(H,16,18)/t14-/m1/s1

InChIKey:

JHRUSYOIALPZLD-CQSZACIVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=CC[C@@H](NC(=O)OC1CCCC1)c2ccccc2
OpenEye OEToolkits 1.9.2	c1ccc(cc1)C(CC=O)NC(=O)OC2CCCC2
OpenEye OEToolkits 1.9.2	c1ccc(cc1)[C@@H](CC=O)NC(=O)OC2CCCC2
CACTVS 3.385	O=CC[CH](NC(=O)OC1CCCC1)c2ccccc2
ACDLabs 12.01	O=C(OC1CCCC1)NC(c2ccccc2)CC=O

Name:

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

ZINC:

ZINC000095920822

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).