Secondary metabolite: Lepistamide B Summary Molecular formula: C15H20N2O4
SMILES: CC(C[C@@]1(O)NC(=O)[C@@](NC1=O)(O)Cc1ccccc1)C InChI: InChI=1S/C15H20N2O4/c1-10(2)8-14(20)12(18)17-15(21,13(19)16-14)9-11-6-4-3-5-7-11/h3-7,10,20-21H,8-9H2,1-2H3,(H,16,19)(H,17,18)/t14-,15-/m0/s1 InChIKey: BFFIQSKYESGUSO-GJZGRUSLSA-N
Chemical classification Kingdom: Organic compounds
Super class: Organic acids and derivatives Class: Carboxylic acids and derivatives
Sub class: Amino acids, peptides, and analogues
Synonymous chemical names: lepistamide b
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 292.33 Log P RDKit -0.1 Topological polar surface area (Å2 ) RDKit 98.66 Number of hydrogen bond acceptors RDKit 4 Number of hydrogen bond donors RDKit 4 Number of carbon atoms RDKit 15 Number of heavy atoms RDKit 21 Number of heteroatoms RDKit 6 Number of nitrogen atoms RDKit 2 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 2 Stereochemical complexity RDKit 0.13 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 8 Number of sp3 hybridized carbon atoms RDKit 7 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.47 Shape complexity RDKit 0.47 Number of rotatable bonds SwissADME 4 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 1 Number of aliphatic rings RDKit 1 Number of aromatic carbocycles RDKit 1 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 1 Total number of rings RDKit 2 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 1 Number of saturated rings RDKit 1 Number of Smallest Set of Smallest Rings (SSSR) RDKit 2
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