(phenylmethyl) N-[(2S,3S)-1-(cyanomethylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S,3S)-1-(cyanomethylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-1-(cyanomethylcarbamoyl)-2-methyl-butyl]carbamate CAS Name: N-[(2S,3S)-1-(cyanomethylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3S)-1-(cyanomethylamino)-3-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S,2S)-1-(cyanomethylcarbamoyl)-2-methyl-butyl]carbamic acid benzyl ester Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3/c1-3-12(2)14(15(20)18-10-9-17)19-16(21)22-11-13-7-5-4-6-8-13/h4-8,12,14H,3,10-11H2,1-2H3,(H,18,20)(H,19,21)/t12-,14-/m0/s1