[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C26H29FN2O6 MolecularWeight: 484.516663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1CCCCN(C1=O)C(=O)C2=CC=C(C=C2)F)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1CCCCN(C1=O)C(=O)C2=CC=C(C=C2)F)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H29FN2O6/c1-16(2)22(28-23(30)17-9-13-20(34-3)14-10-17)26(33)35-21-6-4-5-15-29(25(21)32)24(31)18-7-11-19(27)12-8-18/h7-14,16,21-22H,4-6,15H2,1-3H3,(H,28,30)/t21?,22-/m0/s1