BioLiP

PDB

BioLiP

PDB CCD ID:

TCO

Number of entries in BioLiP:

Chemical formula:

C13 H23 N O3

InChI:

InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,16)/t11-/m1/s1

InChIKey:

BDSGOSWEKUGHOV-LLVKDONJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C)(C)OC(=O)NC(C=O)C1CCCCC1
ACDLabs 10.04	O=C(OC(C)(C)C)NC(C=O)C1CCCCC1
CACTVS 3.341	CC(C)(C)OC(=O)N[CH](C=O)C1CCCCC1
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1

Name:

TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE

ChEMBL:

CHEMBL92567

DrugBank:

DB04523

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).