(2S)-2-(2-cyclopropylethanoylamino)-N-[(3S)-1-methyl-2-oxidanylidene-azepan-3-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(2-cyclopropylethanoylamino)-N-[(3S)-1-methyl-2-oxidanylidene-azepan-3-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-[(2-cyclopropylacetyl)amino]-N-[(3S)-1-methyl-2-oxo-azepan-3-yl]-2-phenyl-acetamide CAS Name: (2S)-2-[(2-cyclopropyl-1-oxoethyl)amino]-N-[(3S)-1-methyl-2-oxo-3-azepanyl]-2-phenylacetamide IUPAC Name: (2S)-2-[(2-cyclopropylacetyl)amino]-N-[(3S)-1-methyl-2-oxoazepan-3-yl]-2-phenylacetamide Traditional Name: (2S)-2-[(2-cyclopropylacetyl)amino]-N-[(3S)-2-keto-1-methyl-azepan-3-yl]-2-phenyl-acetamide Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC(C1=O)NC(=O)C(C2=CC=CC=C2)NC(=O)CC3CC3

Isomeric SMILES

CN1CCCC[C@@H](C1=O)NC(=O)[C@H](C2=CC=CC=C2)NC(=O)CC3CC3

InChI

InChI=1S/C20H27N3O3/c1-23-12-6-5-9-16(20(23)26)21-19(25)18(15-7-3-2-4-8-15)22-17(24)13-14-10-11-14/h2-4,7-8,14,16,18H,5-6,9-13H2,1H3,(H,21,25)(H,22,24)/t16-,18-/m0/s1