BioLiP

PDB

BioLiP

PDB CCD ID:

A1LVH

Number of entries in BioLiP:

Chemical formula:

C12 H22 N2 O2

InChI:

InChI=1S/C12H22N2O2/c1-5-8(4)10-12(16)13-9(6-7(2)3)11(15)14-10/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t8-,9-,10-/m0/s1

InChIKey:

CCMDAWLYCNFDFN-GUBZILKMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C
CACTVS 3.385	CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC1=O
CACTVS 3.385	CC[CH](C)[CH]1NC(=O)[CH](CC(C)C)NC1=O
OpenEye OEToolkits 2.0.7	CCC(C)C1C(=O)NC(C(=O)N1)CC(C)C

Name:

(3~{S},6~{S})-3-[(2~{S})-butan-2-yl]-6-(2-methylpropyl)piperazine-2,5-dione

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).