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

Systemtic Name: (2S)-3-(3-carbamimidoylphenyl)-N-(cyanomethyl)-2-(2,2-diphenylethanoylamino)propanamide Openeye Name: (2S)-3-(3-carbamimidoylphenyl)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]propanamide CAS Name: (2S)-3-(3-carbamimidoylphenyl)-N-(cyanomethyl)-2-[(1-oxo-2,2-diphenylethyl)amino]propanamide IUPAC Name: (2S)-3-(3-carbamimidoylphenyl)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]propanamide Traditional Name: (2S)-3-(3-amidinophenyl)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]propionamide Formula: C26H25N5O2 MolecularWeight: 439.509

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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)C(=N)N)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)C(=N)N)C(=O)NCC#N

InChI

InChI=1S/C26H25N5O2/c27-14-15-30-25(32)22(17-18-8-7-13-21(16-18)24(28)29)31-26(33)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,16,22-23H,15,17H2,(H3,28,29)(H,30,32)(H,31,33)/t22-/m0/s1