BioLiP

PDB

BioLiP

PDB CCD ID:

A1EVZ

Number of entries in BioLiP:

Chemical formula:

C11 H19 N O3

InChI:

InChI=1S/C11H19NO3/c1-8-5-6-9(13)7-12(8)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1

InChIKey:

CSTUUOYWLVVNLE-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH]1CCC(=O)CN1C(=O)OC(C)(C)C
OpenEye OEToolkits 2.0.7	CC1CCC(=O)CN1C(=O)OC(C)(C)C
CACTVS 3.385 OpenEye OEToolkits 2.0.7	C[C@H]1CCC(=O)CN1C(=O)OC(C)(C)C

Name:

~{tert}-butyl (2~{S})-2-methyl-5-oxidanylidene-piperidine-1-carboxylate

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).