Products 116249-66-2

CAS 116249-66-2 appears in our catalog under these names: Benanomicin B, Benanomicin B. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, Get quote.

Structural formula: {0} (CAS {1})

Pradimicin C is a polyketide, a polyphenol, an aromatic ether, a secondary alcohol, a disaccharide derivative, a pradimicin and a L-alanine derivative. It is functionally related to a D-alanine.

Source: ChEBI

Identity
Molecular formulaC39H42N2O18
Molecular weight826.8 g/mol
IUPAC name(2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-5-amino-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
InChIKeyIHIIRQILYAXIOH-NUVDETJMSA-N
SMILESC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)N[C@H](C)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)N

Computed by PubChem (NCBI)