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BioLiP

PDB CCD ID: 9KK
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N O2
InChI: InChI=1S/C7H15NO2/c1-3-4-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKey: FPDYKABXINADKS-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCC(C(=O)O)NC
OpenEye OEToolkits 2.0.6CCCC[C@@H](C(=O)O)NC
CACTVS 3.385CCCC[CH](NC)C(O)=O
CACTVS 3.385CCCC[C@H](NC)C(O)=O
Name:N-methyl norleucine
ZINC: ZINC000002389619
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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