(2S)-N-(cyanomethyl)-2-(2,2-diphenylethanoylamino)-3-(3-iodanylphenyl)propanamide

Systemtic Name: (2S)-N-(cyanomethyl)-2-(2,2-diphenylethanoylamino)-3-(3-iodanylphenyl)propanamide Openeye Name: (2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(3-iodophenyl)propanamide CAS Name: (2S)-N-(cyanomethyl)-3-(3-iodophenyl)-2-[(1-oxo-2,2-diphenylethyl)amino]propanamide IUPAC Name: (2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(3-iodophenyl)propanamide Traditional Name: (2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(3-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(=CC=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(=CC=C3)I)C(=O)NCC#N

InChI

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