BioLiP

PDB

BioLiP

PDB CCD ID:

RBG

Number of entries in BioLiP:

Chemical formula:

C10 H20 N2 O

InChI:

InChI=1S/C10H20N2O/c1-10(2,3)12-9(13)8-6-4-5-7-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m1/s1

InChIKey:

BZRGONFHSWNSQA-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(C)(C)NC(=O)C1CCCCN1
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC(C)(C)NC(=O)[C@H]1CCCCN1
CACTVS 3.385	CC(C)(C)NC(=O)[CH]1CCCCN1
ACDLabs 12.01	C(C1CCCCN1)(=O)NC(C)(C)C

Name:

(2R)-N-tert-butylpiperidine-2-carboxamide

ZINC:

ZINC000006357278

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).