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

Systemtic Name: methyl (2S)-3-[3-(3-methyl-2-nitro-phenyl)-4-phenylmethoxy-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-3-[4-benzyloxy-3-(3-methyl-2-nitro-phenyl)phenyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-3-[3-(3-methyl-2-nitrophenyl)-4-phenylmethoxyphenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[3-(3-methyl-2-nitrophenyl)-4-phenylmethoxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-[4-benzoxy-3-(3-methyl-2-nitro-phenyl)phenyl]-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C29H32N2O7 MolecularWeight: 520.57358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C2=C(C=CC(=C2)CC(C(=O)OC)NC(=O)OC(C)(C)C)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C2=C(C=CC(=C2)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C29H32N2O7/c1-19-10-9-13-22(26(19)31(34)35)23-16-21(14-15-25(23)37-18-20-11-7-6-8-12-20)17-24(27(32)36-5)30-28(33)38-29(2,3)4/h6-16,24H,17-18H2,1-5H3,(H,30,33)/t24-/m0/s1