5-azanyl-2-methyl-N-[3-methyl-1-(8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)butyl]-3,4-bis(oxidanyl)heptanamide

Systemtic Name: 5-azanyl-2-methyl-N-[3-methyl-1-(8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)butyl]-3,4-bis(oxidanyl)heptanamide Openeye Name: 5-amino-3,4-dihydroxy-N-[1-(8-hydroxy-1-oxo-isochroman-3-yl)-3-methyl-butyl]-2-methyl-heptanamide CAS Name: 5-amino-3,4-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-3-methylbutyl]-2-methylheptanamide IUPAC Name: 5-amino-3,4-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-2-methylheptanamide Traditional Name: 5-amino-3,4-dihydroxy-N-[1-(8-hydroxy-1-keto-isochroman-3-yl)-3-methyl-butyl]-2-methyl-enanthamide Formula: C22H34N2O6 MolecularWeight: 422.51516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(C(C)C(=O)NC(CC(C)C)C1CC2=C(C(=CC=C2)O)C(=O)O1)O)O)N

Isomeric SMILES

CCC(C(C(C(C)C(=O)NC(CC(C)C)C1CC2=C(C(=CC=C2)O)C(=O)O1)O)O)N

InChI

InChI=1S/C22H34N2O6/c1-5-14(23)20(27)19(26)12(4)21(28)24-15(9-11(2)3)17-10-13-7-6-8-16(25)18(13)22(29)30-17/h6-8,11-12,14-15,17,19-20,25-27H,5,9-10,23H2,1-4H3,(H,24,28)