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BioLiP Library

PDB CCD ID: 6C9
Number of entries in BioLiP: 1
Chemical formula: C10 H18 N2 O2
InChI: InChI=1S/C10H18N2O2/c13-10(12-4-1-2-5-12)11-7-9-3-6-14-8-9/h9H,1-8H2,(H,11,13)/t9-/m0/s1
InChIKey: MDOWUCLFMQLBNB-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(NC[C@@H]1CCOC1)N2CCCC2
ACDLabs 12.01O=C(N1CCCC1)NCC2CCOC2
OpenEye OEToolkits 2.0.4C1CCN(C1)C(=O)NCC2CCOC2
OpenEye OEToolkits 2.0.4C1CCN(C1)C(=O)NC[C@@H]2CCOC2
CACTVS 3.385O=C(NC[CH]1CCOC1)N2CCCC2
Name:N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide
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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