Secondary metabolite: Conflamide F Summary Molecular formula: C14H24N2O4
SMILES: CCOC(=O)[C@@]1(NN=C(C(=O)O1)[C@H](CC)C)[C@H](CC)C InChI: InChI=1S/C14H24N2O4/c1-6-9(4)11-12(17)20-14(16-15-11,10(5)7-2)13(18)19-8-3/h9-10,16H,6-8H2,1-5H3/t9-,10-,14+/m0/s1 InChIKey: XIYZEEMKNFLLGO-PKFCDNJMSA-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: conflamide f
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 284.36 Log P RDKit 1.84 Topological polar surface area (Å2 ) RDKit 76.99 Number of hydrogen bond acceptors RDKit 6 Number of hydrogen bond donors RDKit 1 Number of carbon atoms RDKit 14 Number of heavy atoms RDKit 20 Number of heteroatoms RDKit 6 Number of nitrogen atoms RDKit 2 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 3 Stereochemical complexity RDKit 0.21 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 3 Number of sp3 hybridized carbon atoms RDKit 11 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.79 Shape complexity RDKit 0.79 Number of rotatable bonds SwissADME 7 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 1 Number of aliphatic rings RDKit 1 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 1 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 0 Number of Smallest Set of Smallest Rings (SSSR) RDKit 1
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