methyl (2S)-3-[3-(3-bromanyl-2-nitro-phenyl)-4-phenylmethoxy-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-[3-(3-bromanyl-2-nitro-phenyl)-4-phenylmethoxy-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-3-[4-benzyloxy-3-(3-bromo-2-nitro-phenyl)phenyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-3-[3-(3-bromo-2-nitrophenyl)-4-phenylmethoxyphenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[3-(3-bromo-2-nitrophenyl)-4-phenylmethoxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-[4-benzoxy-3-(3-bromo-2-nitro-phenyl)phenyl]-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C28H29BrN2O7 MolecularWeight: 585.44306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(C(=CC=C3)Br)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(C(=CC=C3)Br)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C28H29BrN2O7/c1-28(2,3)38-27(33)30-23(26(32)36-4)16-19-13-14-24(37-17-18-9-6-5-7-10-18)21(15-19)20-11-8-12-22(29)25(20)31(34)35/h5-15,23H,16-17H2,1-4H3,(H,30,33)/t23-/m0/s1