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

Systemtic Name: (2S)-N-(cyanomethyl)-2-(2,2-diphenylethanoylamino)-3-(3-ethylphenyl)propanamide Openeye Name: (2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(3-ethylphenyl)propanamide CAS Name: (2S)-N-(cyanomethyl)-3-(3-ethylphenyl)-2-[(1-oxo-2,2-diphenylethyl)amino]propanamide IUPAC Name: (2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(3-ethylphenyl)propanamide Traditional Name: (2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(3-ethylphenyl)propionamide Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)CC(C(=O)NCC#N)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC=C1)C[C@@H](C(=O)NCC#N)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H27N3O2/c1-2-20-10-9-11-21(18-20)19-24(26(31)29-17-16-28)30-27(32)25(22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-15,18,24-25H,2,17,19H2,1H3,(H,29,31)(H,30,32)/t24-/m0/s1