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

Systemtic Name: 4-azanyl-N'-[3-methyl-1-(8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)butyl]-2,3-bis(oxidanyl)hexanediamide Openeye Name: 4-amino-2,3-dihydroxy-N'-[1-(8-hydroxy-1-oxo-isochroman-3-yl)-3-methyl-butyl]hexanediamide CAS Name: 4-amino-2,3-dihydroxy-N'-[1-(8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-3-methylbutyl]hexanediamide IUPAC Name: 4-amino-2,3-dihydroxy-N'-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]hexanediamide Traditional Name: 4-amino-2,3-dihydroxy-N'-[1-(8-hydroxy-1-keto-isochroman-3-yl)-3-methyl-butyl]adipamide Formula: C20H29N3O7 MolecularWeight: 423.46016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O7/c1-9(2)6-12(23-15(25)8-11(21)17(26)18(27)19(22)28)14-7-10-4-3-5-13(24)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,24,26-27H,6-8,21H2,1-2H3,(H2,22,28)(H,23,25)