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BioLiP Library

PDB CCD ID: VZP
Number of entries in BioLiP: 3
Chemical formula: C9 H18 N2 O3 S
InChI: InChI=1S/C9H18N2O3S/c1-7(2)10-9(12)11(3)8-4-5-15(13,14)6-8/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1
InChIKey: RMWFRPZNASSVCZ-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)NC(=O)N(C)C1CCS(=O)(=O)C1
CACTVS 3.385CC(C)NC(=O)N(C)[C@@H]1CC[S](=O)(=O)C1
ACDLabs 12.01N(C1CCS(C1)(=O)=O)(C(=O)NC(C)C)C
CACTVS 3.385CC(C)NC(=O)N(C)[CH]1CC[S](=O)(=O)C1
OpenEye OEToolkits 2.0.7CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1
Name:N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea
ZINC: ZINC000042838879

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)(download the PDF file).
  • 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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