Secondary metabolite: Conflamide H Summary Molecular formula: C14H24N2O5
SMILES: CCOC(=O)[C@]1(OC(=O)C(=NN1O)[C@H](CC)C)[C@H](CC)C InChI: InChI=1S/C14H24N2O5/c1-6-9(4)11-12(17)21-14(10(5)7-2,16(19)15-11)13(18)20-8-3/h9-10,19H,6-8H2,1-5H3/t9-,10-,14+/m0/s1 InChIKey: BRMWWPSDPHSCIF-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 h
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 300.36 Log P RDKit 1.94 Topological polar surface area (Å2 ) RDKit 88.43 Number of hydrogen bond acceptors RDKit 7 Number of hydrogen bond donors RDKit 1 Number of carbon atoms RDKit 14 Number of heavy atoms RDKit 21 Number of heteroatoms RDKit 7 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
TOP 
