Secondary metabolite: Cordycedipeptide A Summary Molecular formula: C10H17N3O3
SMILES: CC(C[C@H]1N=C(O)[C@H](N=C1O)CC(=N)O)C InChI: InChI=1S/C10H17N3O3/c1-5(2)3-6-9(15)13-7(4-8(11)14)10(16)12-6/h5-7H,3-4H2,1-2H3,(H2,11,14)(H,12,16)(H,13,15)/t6-,7-/m1/s1 InChIKey: XZEBIUSMTQUFGY-RNFRBKRXSA-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: cordycedipeptide a
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 227.26 Log P RDKit 1.62 Topological polar surface area (Å2 ) RDKit 109.26 Number of hydrogen bond acceptors RDKit 3 Number of hydrogen bond donors RDKit 4 Number of carbon atoms RDKit 10 Number of heavy atoms RDKit 16 Number of heteroatoms RDKit 6 Number of nitrogen atoms RDKit 3 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 2 Stereochemical complexity RDKit 0.2 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 3 Number of sp3 hybridized carbon atoms RDKit 7 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.7 Shape complexity RDKit 0.7 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 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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