(phenylmethyl) N-[(2S)-1-(cyanomethylamino)-2,4-dimethyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(cyanomethylamino)-2,4-dimethyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(cyanomethylcarbamoyl)-1,3-dimethyl-butyl]carbamate CAS Name: N-[(2S)-1-(cyanomethylamino)-2,4-dimethyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(cyanomethylamino)-2,4-dimethyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-(cyanomethylcarbamoyl)-1,3-dimethyl-butyl]carbamic acid benzyl ester Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)(C(=O)NCC#N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@](C)(C(=O)NCC#N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H23N3O3/c1-13(2)11-17(3,15(21)19-10-9-18)20-16(22)23-12-14-7-5-4-6-8-14/h4-8,13H,10-12H2,1-3H3,(H,19,21)(H,20,22)/t17-/m0/s1