(2S)-2-[2-(4-methoxyphenyl)ethanoyl-methyl-amino]-N-[(3R)-2-oxidanylideneazepan-3-yl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-[2-(4-methoxyphenyl)ethanoyl-methyl-amino]-N-[(3R)-2-oxidanylideneazepan-3-yl]-3-phenyl-propanamide Openeye Name: (2S)-2-[[2-(4-methoxyphenyl)acetyl]-methyl-amino]-N-[(3R)-2-oxoazepan-3-yl]-3-phenyl-propanamide CAS Name: (2S)-2-[[2-(4-methoxyphenyl)-1-oxoethyl]-methylamino]-N-[(3R)-2-oxo-3-azepanyl]-3-phenylpropanamide IUPAC Name: (2S)-2-[[2-(4-methoxyphenyl)acetyl]-methylamino]-N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide Traditional Name: (2S)-N-[(3R)-2-ketoazepan-3-yl]-2-[[2-(4-methoxyphenyl)acetyl]-methyl-amino]-3-phenyl-propionamide Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=O)NC2CCCCNC2=O)C(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CN([C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]2CCCCNC2=O)C(=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H31N3O4/c1-28(23(29)17-19-11-13-20(32-2)14-12-19)22(16-18-8-4-3-5-9-18)25(31)27-21-10-6-7-15-26-24(21)30/h3-5,8-9,11-14,21-22H,6-7,10,15-17H2,1-2H3,(H,26,30)(H,27,31)/t21-,22+/m1/s1