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

Systemtic Name: (2S)-N-(cyanomethyl)-3-cyclohexyl-2-[2-(2-methoxyphenyl)ethanoylamino]propanamide Openeye Name: (2S)-N-(cyanomethyl)-3-cyclohexyl-2-[[2-(2-methoxyphenyl)acetyl]amino]propanamide CAS Name: (2S)-N-(cyanomethyl)-3-cyclohexyl-2-[[2-(2-methoxyphenyl)-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-(cyanomethyl)-3-cyclohexyl-2-[[2-(2-methoxyphenyl)acetyl]amino]propanamide Traditional Name: (2S)-N-(cyanomethyl)-3-cyclohexyl-2-[[2-(2-methoxyphenyl)acetyl]amino]propionamide Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC(=O)NC(CC2CCCCC2)C(=O)NCC#N

Isomeric SMILES

COC1=CC=CC=C1CC(=O)N[C@@H](CC2CCCCC2)C(=O)NCC#N

InChI

InChI=1S/C20H27N3O3/c1-26-18-10-6-5-9-16(18)14-19(24)23-17(20(25)22-12-11-21)13-15-7-3-2-4-8-15/h5-6,9-10,15,17H,2-4,7-8,12-14H2,1H3,(H,22,25)(H,23,24)/t17-/m0/s1