BioLiP

PDB

BioLiP

PDB CCD ID:

A1BF7

Number of entries in BioLiP:

Chemical formula:

C9 H16 N2 O3

InChI:

InChI=1S/C9H16N2O3/c1-14-6-8(12)11-4-2-3-7(5-11)9(10)13/h7H,2-6H2,1H3,(H2,10,13)/t7-/m0/s1

InChIKey:

VINVRWFILPAKSR-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	COCC(=O)N1CCCC(C1)C(=O)N
CACTVS 3.385	COCC(=O)N1CCC[CH](C1)C(N)=O
CACTVS 3.385	COCC(=O)N1CCC[C@@H](C1)C(N)=O
ACDLabs 14.52	O=C(COC)N1CCCC(C1)C(N)=O
OpenEye OEToolkits 3.1.0.0	COCC(=O)N1CCC[C@@H](C1)C(=O)N

Name:

(3S)-1-(methoxyacetyl)piperidine-3-carboxamide

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).