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BioLiP

PDB CCD ID: M6W
Number of entries in BioLiP: 2
Chemical formula: C6 H12 N2 O
InChI: InChI=1S/C6H12N2O/c1-7-6(9)5-2-3-8-4-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1
InChIKey: BVOWXWSHDIGNRE-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=O)C1CCNC1
CACTVS 3.385CNC(=O)[CH]1CCNC1
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CNC(=O)[C@H]1CCNC1
Name:(3~{S})-~{N}-methylpyrrolidine-3-carboxamide
ZINC: ZINC000019686046
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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