(2S)-N-(cyanomethyl)-3-cyclohexyl-2-[2-(4-phenylmethoxyphenyl)ethanoylamino]propanamide

Systemtic Name: (2S)-N-(cyanomethyl)-3-cyclohexyl-2-[2-(4-phenylmethoxyphenyl)ethanoylamino]propanamide Openeye Name: (2S)-2-[[2-(4-benzyloxyphenyl)acetyl]amino]-N-(cyanomethyl)-3-cyclohexyl-propanamide CAS Name: (2S)-N-(cyanomethyl)-3-cyclohexyl-2-[[1-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]propanamide IUPAC Name: (2S)-N-(cyanomethyl)-3-cyclohexyl-2-[[2-(4-phenylmethoxyphenyl)acetyl]amino]propanamide Traditional Name: (2S)-2-[[2-(4-benzoxyphenyl)acetyl]amino]-N-(cyanomethyl)-3-cyclohexyl-propionamide Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCC#N)NC(=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)NCC#N)NC(=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O3/c27-15-16-28-26(31)24(17-20-7-3-1-4-8-20)29-25(30)18-21-11-13-23(14-12-21)32-19-22-9-5-2-6-10-22/h2,5-6,9-14,20,24H,1,3-4,7-8,16-19H2,(H,28,31)(H,29,30)/t24-/m0/s1