dimethyl 1-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[(2S)-2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propyl]triazole-4,5-dicarboxylate CAS Name: 1-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]triazole-4,5-dicarboxylate Traditional Name: 1-[(2S)-2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propyl]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C18H20N4O8 MolecularWeight: 420.3734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)CC(C(=O)OC)NC(=O)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)C[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H20N4O8/c1-27-15(23)12(19-18(26)30-10-11-7-5-4-6-8-11)9-22-14(17(25)29-3)13(20-21-22)16(24)28-2/h4-8,12H,9-10H2,1-3H3,(H,19,26)/t12-/m0/s1