BioLiP

PDB

BioLiP

PDB CCD ID:

VQF

Number of entries in BioLiP:

Chemical formula:

C9 H15 N3 O2

InChI:

InChI=1S/C9H15N3O2/c1-4-5-6-7(10)11(2)9(14)12(3)8(6)13/h6,10H,4-5H2,1-3H3/b10-7-/t6-/m0/s1

InChIKey:

HYOCAKGKTNODNY-FQUWQITNSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CN1C(=O)C(CCC)C(=N)N(C)C1=O
OpenEye OEToolkits 2.0.7	[H]/N=C\1/C(C(=O)N(C(=O)N1C)C)CCC
CACTVS 3.385	CCC[C@H]1C(=N)N(C)C(=O)N(C)C1=O
OpenEye OEToolkits 2.0.7	CCCC1C(=N)N(C(=O)N(C1=O)C)C
CACTVS 3.385	CCC[CH]1C(=N)N(C)C(=O)N(C)C1=O

Name:

(5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-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).