(phenylmethyl) (2S)-2-[[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]azetidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]azetidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[(1S)-1-methyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]azetidine-1-carboxylate CAS Name: (2S)-2-[[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-oxomethyl]-1-azetidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate Traditional Name: (2S)-2-[[(1S)-2-keto-1-methyl-2-(methylamino)ethyl]carbamoyl]azetidine-1-carboxylic acid benzyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)NC(=O)C1CCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC)NC(=O)[C@@H]1CCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H21N3O4/c1-11(14(20)17-2)18-15(21)13-8-9-19(13)16(22)23-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,20)(H,18,21)/t11-,13-/m0/s1