5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-6-[6-oxidanylidene-4-(phenylmethyl)cyclohexa-1,3-dien-1-yl]hexanoic acid

Systemtic Name: 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-6-[6-oxidanylidene-4-(phenylmethyl)cyclohexa-1,3-dien-1-yl]hexanoic acid Openeye Name: 6-(4-benzyl-6-oxo-cyclohexa-1,3-dien-1-yl)-5-(tert-butoxycarbonylamino)-4-oxo-hexanoic acid CAS Name: 5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-6-[6-oxo-4-(phenylmethyl)-1-cyclohexa-1,3-dienyl]hexanoic acid IUPAC Name: 6-(4-benzyl-6-oxocyclohexa-1,3-dien-1-yl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid Traditional Name: 6-(4-benzyl-6-keto-cyclohexa-1,3-dien-1-yl)-5-(tert-butoxycarbonylamino)-4-keto-hexanoic acid Formula: C24H29NO6 MolecularWeight: 427.49016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(CC1=O)CC2=CC=CC=C2)C(=O)CCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(CC1=O)CC2=CC=CC=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C24H29NO6/c1-24(2,3)31-23(30)25-19(20(26)11-12-22(28)29)15-18-10-9-17(14-21(18)27)13-16-7-5-4-6-8-16/h4-10,19H,11-15H2,1-3H3,(H,25,30)(H,28,29)