(2S)-2-[methyl(3-phenylpropanoyl)amino]-N-[(3S)-2-oxidanylideneazepan-3-yl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-[methyl(3-phenylpropanoyl)amino]-N-[(3S)-2-oxidanylideneazepan-3-yl]-3-phenyl-propanamide Openeye Name: (2S)-2-[methyl(3-phenylpropanoyl)amino]-N-[(3S)-2-oxoazepan-3-yl]-3-phenyl-propanamide CAS Name: (2S)-2-[methyl-(1-oxo-3-phenylpropyl)amino]-N-[(3S)-2-oxo-3-azepanyl]-3-phenylpropanamide IUPAC Name: (2S)-2-[methyl(3-phenylpropanoyl)amino]-N-[(3S)-2-oxoazepan-3-yl]-3-phenylpropanamide Traditional Name: (2S)-2-[hydrocinnamoyl(methyl)amino]-N-[(3S)-2-ketoazepan-3-yl]-3-phenyl-propionamide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=O)NC2CCCCNC2=O)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CN([C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CCCCNC2=O)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O3/c1-28(23(29)16-15-19-10-4-2-5-11-19)22(18-20-12-6-3-7-13-20)25(31)27-21-14-8-9-17-26-24(21)30/h2-7,10-13,21-22H,8-9,14-18H2,1H3,(H,26,30)(H,27,31)/t21-,22-/m0/s1