2-[[1-[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[1-[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[1-[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-2-oxo-azepan-3-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[1-[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-oxo-3-azepanyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[1-[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-oxoazepan-3-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[1-[2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]-2-keto-azepan-3-yl]amino]-4-phenyl-butyric acid Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(CCC2=CC=CC=C2)C(=O)O)C(CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(CCC2=CC=CC=C2)C(=O)O)C(CC3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C25H30N2O6/c28-19-12-9-18(10-13-19)16-22(25(32)33)27-15-5-4-8-20(23(27)29)26-21(24(30)31)14-11-17-6-2-1-3-7-17/h1-3,6-7,9-10,12-13,20-22,26,28H,4-5,8,11,14-16H2,(H,30,31)(H,32,33)