Secondary metabolite: Confluenine E Summary Molecular formula: C14H26N2O5
SMILES: CCOC(=O)[C@H](N(C(=O)/C(=N/O)/[C@H](CC)C)O)[C@H](CC)C InChI: InChI=1S/C14H26N2O5/c1-6-9(4)11(15-19)13(17)16(20)12(10(5)7-2)14(18)21-8-3/h9-10,12,19-20H,6-8H2,1-5H3/b15-11+/t9-,10-,12+/m0/s1 InChIKey: FLPLKVHLPJZQBT-XWPZQOPCSA-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: confluenine e
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 302.37 Log P RDKit 2.06 Topological polar surface area (Å2 ) RDKit 99.43 Number of hydrogen bond acceptors RDKit 6 Number of hydrogen bond donors RDKit 2 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 10 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 0 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 0 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 0
TOP 
