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BioLiP Library

PDB CCD ID: A1AMX
Number of entries in BioLiP: 1
Chemical formula: C8 H18 N2 O3 S
InChI: InChI=1S/C8H18N2O3S/c1-4-8-7-10(5-6-13-8)14(11,12)9(2)3/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKey: YVFXOSQSQHCMKO-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC[C@@H]1CN(CCO1)S(=O)(=O)N(C)C
ACDLabs 12.01O=S(=O)(N1CC(CC)OCC1)N(C)C
CACTVS 3.385CC[CH]1CN(CCO1)[S](=O)(=O)N(C)C
CACTVS 3.385CC[C@@H]1CN(CCO1)[S](=O)(=O)N(C)C
OpenEye OEToolkits 2.0.7CCC1CN(CCO1)S(=O)(=O)N(C)C
Name:(2R)-2-ethyl-N,N-dimethylmorpholine-4-sulfonamide
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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