(phenylmethyl) N-[(2S)-1-(aminomethylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(aminomethylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-(aminomethylamino)-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(aminomethylamino)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(aminomethylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(aminomethylamino)-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C12H17N3O3 MolecularWeight: 251.28168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCN)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)NCN)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H17N3O3/c1-9(11(16)14-8-13)15-12(17)18-7-10-5-3-2-4-6-10/h2-6,9H,7-8,13H2,1H3,(H,14,16)(H,15,17)/t9-/m0/s1