(2S)-N-(cyanomethyl)-2-(2,2-diphenylethanoylamino)-3-(4-iodophenyl)propanamide

Systemtic Name: (2S)-N-(cyanomethyl)-2-(2,2-diphenylethanoylamino)-3-(4-iodophenyl)propanamide Openeye Name: (2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(4-iodophenyl)propanamide CAS Name: (2S)-N-(cyanomethyl)-3-(4-iodophenyl)-2-[(1-oxo-2,2-diphenylethyl)amino]propanamide IUPAC Name: (2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(4-iodophenyl)propanamide Traditional Name: (2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(4-iodophenyl)propionamide Formula: C25H22IN3O2 MolecularWeight: 523.36555

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)I)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)I)C(=O)NCC#N

InChI

InChI=1S/C25H22IN3O2/c26-21-13-11-18(12-14-21)17-22(24(30)28-16-15-27)29-25(31)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22-23H,16-17H2,(H,28,30)(H,29,31)/t22-/m0/s1