[(2S)-3-(5-acetamido-2-nitro-4-phenylmethoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] ethanoate

Systemtic Name: [(2S)-3-(5-acetamido-2-nitro-4-phenylmethoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] ethanoate Openeye Name: [(2S)-3-(5-acetamido-4-benzyloxy-2-nitro-phenyl)-2-(tert-butoxycarbonylamino)propyl] acetate CAS Name: acetic acid [(2S)-3-(5-acetamido-2-nitro-4-phenylmethoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl] ester IUPAC Name: [(2S)-3-(5-acetamido-2-nitro-4-phenylmethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate Traditional Name: acetic acid [(2S)-3-(5-acetamido-4-benzoxy-2-nitro-phenyl)-2-(tert-butoxycarbonylamino)propyl] ester Formula: C25H31N3O8 MolecularWeight: 501.52894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)CC(COC(=O)C)NC(=O)OC(C)(C)C)[N+](=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)C[C@@H](COC(=O)C)NC(=O)OC(C)(C)C)[N+](=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O8/c1-16(29)26-21-12-19(11-20(15-34-17(2)30)27-24(31)36-25(3,4)5)22(28(32)33)13-23(21)35-14-18-9-7-6-8-10-18/h6-10,12-13,20H,11,14-15H2,1-5H3,(H,26,29)(H,27,31)/t20-/m0/s1