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

Systemtic Name: 2-[[2-oxidanylidene-3-(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)azepan-1-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[3-(2-benzyloxy-1-methyl-2-oxo-ethyl)-2-oxo-azepan-1-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[2-oxo-3-(1-oxo-1-phenylmethoxypropan-2-yl)-1-azepanyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[2-oxo-3-(1-oxo-1-phenylmethoxypropan-2-yl)azepan-1-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[3-(2-benzoxy-2-keto-1-methyl-ethyl)-2-keto-azepan-1-yl]amino]-4-phenyl-butyric acid Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCN(C1=O)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1CCCCN(C1=O)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O5/c1-19(26(32)33-18-21-12-6-3-7-13-21)22-14-8-9-17-28(24(22)29)27-23(25(30)31)16-15-20-10-4-2-5-11-20/h2-7,10-13,19,22-23,27H,8-9,14-18H2,1H3,(H,30,31)