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BioLiP

PDB CCD ID: NLW
Number of entries in BioLiP: 0
Chemical formula: C6 H14 N2 O
InChI: InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1
InChIKey: FORGMRSGVSYZQR-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CC(C)C[C@@H](C(=O)N)N
ACDLabs 12.01CC(CC(C(N)=O)N)C
OpenEye OEToolkits 2.0.4CC(C)CC(C(=O)N)N
CACTVS 3.385CC(C)C[CH](N)C(N)=O
CACTVS 3.385CC(C)C[C@H](N)C(N)=O
Name:L-leucinamide
ChEMBL: CHEMBL598548
ZINC: ZINC000003581377
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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