BioLiP

PDB

BioLiP

PDB CCD ID:

VLX

Number of entries in BioLiP:

Chemical formula:

C11 H20 N2 O2

InChI:

InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1

InChIKey:

MSYKRHVOOPPJKU-BDAKNGLRSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC[CH]1CN([CH](CC)C(N)=O)C(=O)C1
OpenEye OEToolkits 2.0.7	CCC[C@@H]1CC(=O)N(C1)[C@@H](CC)C(=O)N
CACTVS 3.385	CCC[C@H]1CN([C@@H](CC)C(N)=O)C(=O)C1
OpenEye OEToolkits 2.0.7	CCCC1CC(=O)N(C1)C(CC)C(=O)N

Name:

(2S)-2-[(4R)-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide

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).