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BioLiP

PDB CCD ID: JZA
Number of entries in BioLiP: 2
Chemical formula: C7 H12 N2 O4 S
InChI: InChI=1S/C7H12N2O4S/c10-7(8-1-4-13-5-2-8)9-3-6-14(9,11)12/h1-6H2
InChIKey: FLIYHWNBIOGIBH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1COCCN1C(=O)N2CCS2(=O)=O
ACDLabs 12.01O=C(N1CCOCC1)N2CCS2(=O)=O
CACTVS 3.370O=C(N1CCOCC1)N2CC[S]2(=O)=O
Name:4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine;
beta-sultam
ZINC: ZINC000058649754
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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