N-[(2S)-1-(cyanomethylamino)-3-(3-methylphenyl)-1-oxidanylidene-propan-2-yl]pentanamide

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-3-(3-methylphenyl)-1-oxidanylidene-propan-2-yl]pentanamide Openeye Name: N-[(1S)-2-(cyanomethylamino)-1-(m-tolylmethyl)-2-oxo-ethyl]pentanamide CAS Name: N-[(2S)-1-(cyanomethylamino)-3-(3-methylphenyl)-1-oxopropan-2-yl]pentanamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-3-(3-methylphenyl)-1-oxopropan-2-yl]pentanamide Traditional Name: N-[(1S)-2-(cyanomethylamino)-2-keto-1-(3-methylbenzyl)ethyl]valeramide Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(CC1=CC=CC(=C1)C)C(=O)NCC#N

Isomeric SMILES

CCCCC(=O)N[C@@H](CC1=CC=CC(=C1)C)C(=O)NCC#N

InChI

InChI=1S/C17H23N3O2/c1-3-4-8-16(21)20-15(17(22)19-10-9-18)12-14-7-5-6-13(2)11-14/h5-7,11,15H,3-4,8,10,12H2,1-2H3,(H,19,22)(H,20,21)/t15-/m0/s1