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BioLiP

PDB CCD ID: LNE
Number of entries in BioLiP: 0
Chemical formula: C8 H18 N2 O
InChI: InChI=1S/C8H18N2O/c1-4-10-8(11)7(9)5-6(2)3/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKey: ODAKRYUDLXZGCT-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CCNC(=O)[C@H](CC(C)C)N
OpenEye OEToolkits 1.7.2CCNC(=O)C(CC(C)C)N
CACTVS 3.370CCNC(=O)[C@@H](N)CC(C)C
CACTVS 3.370CCNC(=O)[CH](N)CC(C)C
ACDLabs 12.01O=C(NCC)C(N)CC(C)C
Name:N-ethyl-L-leucinamide
ZINC: ZINC000019426329
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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