[4-[(E)-3-[(3E)-3-[[4-(2-azanyl-3-methyl-butanoyl)oxyphenyl]methylidene]-2-oxidanyl-cyclohexen-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl] 2-azanyl-3-methyl-butanoate dihydrochloride

Systemtic Name: [4-[(E)-3-[(3E)-3-[[4-(2-azanyl-3-methyl-butanoyl)oxyphenyl]methylidene]-2-oxidanyl-cyclohexen-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl] 2-azanyl-3-methyl-butanoate dihydrochloride Openeye Name: [4-[(E)-3-[(3E)-3-[[4-(2-amino-3-methyl-butanoyl)oxyphenyl]methylene]-2-hydroxy-cyclohexen-1-yl]-3-oxo-prop-1-enyl]phenyl] 2-amino-3-methyl-butanoate dihydrochloride CAS Name: 2-amino-3-methylbutanoic acid [4-[(E)-3-[(3E)-3-[[4-(2-amino-3-methyl-1-oxobutoxy)phenyl]methylidene]-2-hydroxy-1-cyclohexenyl]-3-oxoprop-1-enyl]phenyl] ester dihydrochloride IUPAC Name: [4-[(E)-3-[(3E)-3-[[4-(2-amino-3-methylbutanoyl)oxyphenyl]methylidene]-2-hydroxycyclohexen-1-yl]-3-oxoprop-1-enyl]phenyl] 2-amino-3-methylbutanoate dihydrochloride Traditional Name: 2-amino-3-methyl-butyric acid [4-[(E)-3-[(3E)-3-[4-(2-amino-3-methyl-butanoyl)oxybenzylidene]-2-hydroxy-cyclohexen-1-yl]-3-keto-prop-1-enyl]phenyl] ester dihydrochloride Formula: C32H40Cl2N2O6 MolecularWeight: 619.5758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C=C1)C=CC(=O)C2=C(C(=CC3=CC=C(C=C3)OC(=O)C(C(C)C)N)CCC2)O)N.Cl.Cl

Isomeric SMILES

CC(C)C(C(=O)OC1=CC=C(C=C1)/C=C/C(=O)C2=C(/C(=C/C3=CC=C(C=C3)OC(=O)C(C(C)C)N)/CCC2)O)N.Cl.Cl

InChI

InChI=1S/C32H38N2O6.2ClH/c1-19(2)28(33)31(37)39-24-13-8-21(9-14-24)12-17-27(35)26-7-5-6-23(30(26)36)18-22-10-15-25(16-11-22)40-32(38)29(34)20(3)4;;/h8-20,28-29,36H,5-7,33-34H2,1-4H3;2*1H/b17-12+,23-18+;;