[(2S)-3-(3-acetamido-4-acetyloxy-5-azanyl-phenyl)-2-(methoxycarbonylamino)propyl] ethanoate

Systemtic Name: [(2S)-3-(3-acetamido-4-acetyloxy-5-azanyl-phenyl)-2-(methoxycarbonylamino)propyl] ethanoate Openeye Name: [(2S)-3-(3-acetamido-4-acetoxy-5-amino-phenyl)-2-(methoxycarbonylamino)propyl] acetate CAS Name: acetic acid [(2S)-3-(3-acetamido-4-acetyloxy-5-aminophenyl)-2-(methoxycarbonylamino)propyl] ester IUPAC Name: [(2S)-3-(3-acetamido-4-acetyloxy-5-aminophenyl)-2-(methoxycarbonylamino)propyl] acetate Traditional Name: acetic acid [(2S)-3-(3-acetamido-4-acetoxy-5-amino-phenyl)-2-(carbomethoxyamino)propyl] ester Formula: C17H23N3O7 MolecularWeight: 381.38042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1OC(=O)C)N)CC(COC(=O)C)NC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1OC(=O)C)N)C[C@@H](COC(=O)C)NC(=O)OC

InChI

InChI=1S/C17H23N3O7/c1-9(21)19-15-7-12(6-14(18)16(15)27-11(3)23)5-13(8-26-10(2)22)20-17(24)25-4/h6-7,13H,5,8,18H2,1-4H3,(H,19,21)(H,20,24)/t13-/m0/s1