(4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: (4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: (4-nitrophenyl) (2S)-3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-(tert-butoxycarbonylamino)propionic acid (4-nitrophenyl) ester Formula: C27H28N2O7 MolecularWeight: 492.52042

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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)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H28N2O7/c1-27(2,3)36-26(31)28-24(25(30)35-23-15-11-21(12-16-23)29(32)33)17-19-9-13-22(14-10-19)34-18-20-7-5-4-6-8-20/h4-16,24H,17-18H2,1-3H3,(H,28,31)/t24-/m0/s1