(phenylmethyl) N-[(2S)-1-(cyanomethylamino)-1-oxidanylidene-hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(cyanomethylamino)-1-oxidanylidene-hexan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(cyanomethylcarbamoyl)pentyl]carbamate CAS Name: N-[(2S)-1-(cyanomethylamino)-1-oxohexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(cyanomethylamino)-1-oxohexan-2-yl]carbamate Traditional Name: N-[(1S)-1-(cyanomethylcarbamoyl)pentyl]carbamic acid benzyl ester Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3/c1-2-3-9-14(15(20)18-11-10-17)19-16(21)22-12-13-7-5-4-6-8-13/h4-8,14H,2-3,9,11-12H2,1H3,(H,18,20)(H,19,21)/t14-/m0/s1