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BioLiP

PDB CCD ID: LNM
Number of entries in BioLiP: 0
Chemical formula: C7 H16 N2 O
InChI: InChI=1S/C7H16N2O/c1-5(2)4-6(8)7(10)9-3/h5-6H,4,8H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKey: LIBDTAYIDBPBRN-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CC(C)CC(C(=O)NC)N
CACTVS 3.370CNC(=O)[CH](N)CC(C)C
CACTVS 3.370CNC(=O)[C@@H](N)CC(C)C
ACDLabs 12.01O=C(NC)C(N)CC(C)C
OpenEye OEToolkits 1.7.2CC(C)C[C@@H](C(=O)NC)N
Name:N-methyl-L-leucinamide
ZINC: ZINC000019509929
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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