2-[[1-(carboxymethyl)-6-(4-fluorophenyl)-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[1-(carboxymethyl)-6-(4-fluorophenyl)-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[1-(carboxymethyl)-6-(4-fluorophenyl)-2-oxo-azepan-3-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[1-(carboxymethyl)-6-(4-fluorophenyl)-2-oxo-3-azepanyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[1-(carboxymethyl)-6-(4-fluorophenyl)-2-oxoazepan-3-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[1-(carboxymethyl)-6-(4-fluorophenyl)-2-keto-azepan-3-yl]amino]-4-phenyl-butyric acid Formula: C24H27FN2O5 MolecularWeight: 442.479983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(CC1C2=CC=C(C=C2)F)CC(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(C(=O)N(CC1C2=CC=C(C=C2)F)CC(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H27FN2O5/c25-19-10-7-17(8-11-19)18-9-13-20(23(30)27(14-18)15-22(28)29)26-21(24(31)32)12-6-16-4-2-1-3-5-16/h1-5,7-8,10-11,18,20-21,26H,6,9,12-15H2,(H,28,29)(H,31,32)