BioLiP

PDB

BioLiP

PDB CCD ID:

6C9

Number of entries in BioLiP:

Chemical formula:

C10 H18 N2 O2

InChI:

InChI=1S/C10H18N2O2/c13-10(12-4-1-2-5-12)11-7-9-3-6-14-8-9/h9H,1-8H2,(H,11,13)/t9-/m0/s1

InChIKey:

MDOWUCLFMQLBNB-VIFPVBQESA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(NC[C@@H]1CCOC1)N2CCCC2
ACDLabs 12.01	O=C(N1CCCC1)NCC2CCOC2
OpenEye OEToolkits 2.0.4	C1CCN(C1)C(=O)NCC2CCOC2
OpenEye OEToolkits 2.0.4	C1CCN(C1)C(=O)NC[C@@H]2CCOC2
CACTVS 3.385	O=C(NC[CH]1CCOC1)N2CCCC2

Name:

N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-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).