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

Systemtic Name: 4-azanyl-N-[3-methyl-1-(8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)butyl]-2,3-bis(oxidanyl)hexanediamide hydrochloride Openeye Name: 4-amino-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-isochroman-3-yl)-3-methyl-butyl]hexanediamide hydrochloride CAS Name: 4-amino-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-3-methylbutyl]hexanediamide hydrochloride IUPAC Name: 4-amino-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]hexanediamide hydrochloride Traditional Name: 4-amino-2,3-dihydroxy-N-[1-(8-hydroxy-1-keto-isochroman-3-yl)-3-methyl-butyl]adipamide hydrochloride Formula: C20H30ClN3O7 MolecularWeight: 459.9211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O7.ClH/c1-9(2)6-12(23-19(28)18(27)17(26)11(21)8-15(22)25)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,(H2,22,25)(H,23,28);1H