methyl (2S)-3-(3-acetamido-4-acetyloxy-phenyl)-2-(methoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-(3-acetamido-4-acetyloxy-phenyl)-2-(methoxycarbonylamino)propanoate Openeye Name: methyl (2S)-3-(3-acetamido-4-acetoxy-phenyl)-2-(methoxycarbonylamino)propanoate CAS Name: (2S)-3-(3-acetamido-4-acetyloxyphenyl)-2-(methoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-acetamido-4-acetyloxyphenyl)-2-(methoxycarbonylamino)propanoate Traditional Name: (2S)-3-(3-acetamido-4-acetoxy-phenyl)-2-(carbomethoxyamino)propionic acid methyl ester Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)CC(C(=O)OC)NC(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C[C@@H](C(=O)OC)NC(=O)OC)OC(=O)C

InChI

InChI=1S/C16H20N2O7/c1-9(19)17-12-7-11(5-6-14(12)25-10(2)20)8-13(15(21)23-3)18-16(22)24-4/h5-7,13H,8H2,1-4H3,(H,17,19)(H,18,22)/t13-/m0/s1