(2S)-2-(2-cyclopropylethanoylamino)-N-[(4S)-1-methyl-2-oxidanylidene-azepan-4-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(2-cyclopropylethanoylamino)-N-[(4S)-1-methyl-2-oxidanylidene-azepan-4-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-[(2-cyclopropylacetyl)amino]-N-[(4S)-1-methyl-2-oxo-azepan-4-yl]-2-phenyl-acetamide CAS Name: (2S)-2-[(2-cyclopropyl-1-oxoethyl)amino]-N-[(4S)-1-methyl-2-oxo-4-azepanyl]-2-phenylacetamide IUPAC Name: (2S)-2-[(2-cyclopropylacetyl)amino]-N-[(4S)-1-methyl-2-oxoazepan-4-yl]-2-phenylacetamide Traditional Name: (2S)-2-[(2-cyclopropylacetyl)amino]-N-[(4S)-2-keto-1-methyl-azepan-4-yl]-2-phenyl-acetamide Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(CC1=O)NC(=O)C(C2=CC=CC=C2)NC(=O)CC3CC3

Isomeric SMILES

CN1CCC[C@@H](CC1=O)NC(=O)[C@H](C2=CC=CC=C2)NC(=O)CC3CC3

InChI

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