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

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)N1CCCCCC1)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H32N2O5/c1-15(2)19(23-20(25)17-9-11-18(28-4)12-10-17)22(27)29-16(3)21(26)24-13-7-5-6-8-14-24/h9-12,15-16,19H,5-8,13-14H2,1-4H3,(H,23,25)/t16-,19+/m1/s1