BioLiP

PDB

BioLiP

PDB CCD ID:

J5P

Number of entries in BioLiP:

Chemical formula:

C8 H14 N2 O4 S

InChI:

InChI=1S/C8H14N2O4S/c1-6(11)9-10-8(12)4-7-2-3-15(13,14)5-7/h7H,2-5H2,1H3,(H,9,11)(H,10,12)/t7-/m0/s1

InChIKey:

DIHAZQXZGGBQIS-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1
CACTVS 3.385	CC(=O)NNC(=O)C[C@@H]1CC[S](=O)(=O)C1
CACTVS 3.385	CC(=O)NNC(=O)C[CH]1CC[S](=O)(=O)C1
ACDLabs 12.01 OpenEye OEToolkits 2.0.6	CC(=O)NNC(=O)CC1CCS(=O)(=O)C1

Name:

N'-acetyl-2-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide

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).