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

Systemtic Name: 2-[[1-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[1-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-2-oxo-azepan-3-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[1-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-oxo-3-azepanyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[1-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-oxoazepan-3-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[1-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)-2-keto-azepan-3-yl]amino]-4-phenyl-butyric acid Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)N1CCCCC(C1=O)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C(=O)O)N1CCCCC(C1=O)NC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H28N2O5/c1-20(2,19(26)27)22-13-7-6-10-15(17(22)23)21-16(18(24)25)12-11-14-8-4-3-5-9-14/h3-5,8-9,15-16,21H,6-7,10-13H2,1-2H3,(H,24,25)(H,26,27)