[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)N1CCCCCC1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)C(=O)N1CCCCCC1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H32N2O4/c1-16(2)20(23-19(25)15-18-11-7-6-8-12-18)22(27)28-17(3)21(26)24-13-9-4-5-10-14-24/h6-8,11-12,16-17,20H,4-5,9-10,13-15H2,1-3H3,(H,23,25)/t17?,20-/m0/s1