(phenylmethyl) N-[(2S)-1-(cyanomethylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(cyanomethylamino)-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(cyanomethylcarbamoyl)-2-hydroxy-propyl]carbamate CAS Name: N-[(2S)-1-(cyanomethylamino)-3-hydroxy-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(cyanomethylamino)-3-hydroxy-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-(cyanomethylcarbamoyl)-2-hydroxy-propyl]carbamic acid benzyl ester Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4/c1-10(18)12(13(19)16-8-7-15)17-14(20)21-9-11-5-3-2-4-6-11/h2-6,10,12,18H,8-9H2,1H3,(H,16,19)(H,17,20)/t10?,12-/m0/s1