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BioLiP Library

PDB CCD ID: 81T
Number of entries in BioLiP: 1
Chemical formula: C10 H20 N2 O2
InChI: InChI=1S/C10H20N2O2/c1-7(13)11-8-6-9(2,3)12(14)10(8,4)5/h8,14H,6H2,1-5H3,(H,11,13)/t8-/m1/s1
InChIKey: KYBFUZFDBKACCD-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)N[CH]1CC(C)(C)N(O)C1(C)C
OpenEye OEToolkits 2.0.7CC(=O)N[C@@H]1CC(N(C1(C)C)O)(C)C
CACTVS 3.385CC(=O)N[C@@H]1CC(C)(C)N(O)C1(C)C
OpenEye OEToolkits 2.0.7CC(=O)NC1CC(N(C1(C)C)O)(C)C
Name:~{N}-[(3~{R})-2,2,5,5-tetramethyl-1-oxidanyl-pyrrolidin-3-yl]ethanamide
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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