BioLiP

PDB

BioLiP

PDB CCD ID:

V9I

Number of entries in BioLiP:

Chemical formula:

C10 H18 N2 O4

InChI:

InChI=1S/C10H18N2O4/c1-3-16-10(14)12-6-4-5-8(7-12)9(13)11-15-2/h8H,3-7H2,1-2H3,(H,11,13)/t8-/m0/s1

InChIKey:

CUKXABWTVVSDEP-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCOC(=O)N1CCC[CH](C1)C(=O)NOC
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCOC(=O)N1CCC[C@@H](C1)C(=O)NOC
ACDLabs 12.01	CONC(=O)C1CCCN(C1)C(=O)OCC
OpenEye OEToolkits 2.0.7	CCOC(=O)N1CCCC(C1)C(=O)NOC

Name:

ethyl (3S)-3-(methoxycarbamoyl)piperidine-1-carboxylate

ZINC:

ZINC000043729698

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).