BioLiP

PDB

BioLiP

PDB CCD ID:

49R

Number of entries in BioLiP:

Chemical formula:

C14 H20 N2 O2

InChI:

InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-11-8-10-6-4-5-7-12(10)15-9-11/h4-7,11,15H,8-9H2,1-3H3,(H,16,17)/t11-/m1/s1

InChIKey:

GAURNOYXRZQBNV-LLVKDONJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CC(C)(C)OC(=O)NC1Cc2ccccc2NC1
OpenEye OEToolkits 1.9.2	CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2NC1
CACTVS 3.385	CC(C)(C)OC(=O)N[CH]1CNc2ccccc2C1
CACTVS 3.385	CC(C)(C)OC(=O)N[C@H]1CNc2ccccc2C1
ACDLabs 12.01	O=C(OC(C)(C)C)NC2Cc1c(cccc1)NC2

Name:

tert-butyl (3R)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate

ZINC:

ZINC000004202329

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).