dimethyl (2S)-2-[[(2S)-3-azido-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]butanedioate

Systemtic Name: dimethyl (2S)-2-[[(2S)-3-azido-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]butanedioate Openeye Name: dimethyl (2S)-2-[[(1S)-1-(azidomethyl)-2-benzyloxy-2-oxo-ethyl]amino]butanedioate CAS Name: (2S)-2-[[(2S)-3-azido-1-oxo-1-phenylmethoxypropan-2-yl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[(2S)-3-azido-1-oxo-1-phenylmethoxypropan-2-yl]amino]butanedioate Traditional Name: (2S)-2-[[(1S)-1-(azidomethyl)-2-benzoxy-2-keto-ethyl]amino]succinic acid dimethyl ester Formula: C16H20N4O6 MolecularWeight: 364.3532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)NC(CN=[N+]=[N-])C(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C[C@@H](C(=O)OC)N[C@@H](CN=[N+]=[N-])C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H20N4O6/c1-24-14(21)8-12(15(22)25-2)19-13(9-18-20-17)16(23)26-10-11-6-4-3-5-7-11/h3-7,12-13,19H,8-10H2,1-2H3/t12-,13-/m0/s1