1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-4-(4-oxidanyl-4-oxidanylidene-butanoyl)piperazine-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-4-(4-oxidanyl-4-oxidanylidene-butanoyl)piperazine-2-carboxylic acid Openeye Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-(4-hydroxy-4-oxo-butanoyl)-2-isobutyl-piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-(4-hydroxy-1,4-dioxobutyl)-2-(2-methylpropyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-tert-butyl-3-methoxybenzoyl)-4-(4-hydroxy-4-oxobutanoyl)-2-(2-methylpropyl)piperazine-2-carboxylic acid Traditional Name: 1-(4-tert-butyl-3-methoxy-benzoyl)-4-(4-hydroxy-4-keto-butanoyl)-2-isobutyl-piperazine-2-carboxylic acid Formula: C25H36N2O7 MolecularWeight: 476.56254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CN(CCN1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)C(=O)CCC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1(CN(CCN1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)C(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C25H36N2O7/c1-16(2)14-25(23(32)33)15-26(20(28)9-10-21(29)30)11-12-27(25)22(31)17-7-8-18(24(3,4)5)19(13-17)34-6/h7-8,13,16H,9-12,14-15H2,1-6H3,(H,29,30)(H,32,33)