(4-nitrophenyl) (2S)-3-(4-dimethoxyphosphoryloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (4-nitrophenyl) (2S)-3-(4-dimethoxyphosphoryloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (4-nitrophenyl) (2S)-2-(benzyloxycarbonylamino)-3-(4-dimethoxyphosphoryloxyphenyl)propanoate CAS Name: (2S)-3-(4-dimethoxyphosphoryloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-3-(4-dimethoxyphosphoryloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-dimethoxyphosphoryloxyphenyl)propionic acid (4-nitrophenyl) ester Formula: C25H25N2O10P MolecularWeight: 544.447161

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(OC)OC1=CC=C(C=C1)CC(C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COP(=O)(OC)OC1=CC=C(C=C1)C[C@@H](C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H25N2O10P/c1-33-38(32,34-2)37-22-12-8-18(9-13-22)16-23(26-25(29)35-17-19-6-4-3-5-7-19)24(28)36-21-14-10-20(11-15-21)27(30)31/h3-15,23H,16-17H2,1-2H3,(H,26,29)/t23-/m0/s1