ethyl (2R,3S)-3-[5-(2-methoxyethoxymethoxy)-2-nitro-phenyl]-2-oxidanyl-3-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: ethyl (2R,3S)-3-[5-(2-methoxyethoxymethoxy)-2-nitro-phenyl]-2-oxidanyl-3-(phenylmethoxycarbonylamino)propanoate Openeye Name: ethyl (2R,3S)-3-(benzyloxycarbonylamino)-2-hydroxy-3-[5-(2-methoxyethoxymethoxy)-2-nitro-phenyl]propanoate CAS Name: (2R,3S)-2-hydroxy-3-[5-(2-methoxyethoxymethoxy)-2-nitrophenyl]-3-(phenylmethoxycarbonylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-hydroxy-3-[5-(2-methoxyethoxymethoxy)-2-nitrophenyl]-3-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2R,3S)-3-(benzyloxycarbonylamino)-2-hydroxy-3-[5-(2-methoxyethoxymethoxy)-2-nitro-phenyl]propionic acid ethyl ester Formula: C23H28N2O10 MolecularWeight: 492.47582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=C(C=CC(=C1)OCOCCOC)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)[C@@H]([C@H](C1=C(C=CC(=C1)OCOCCOC)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C23H28N2O10/c1-3-33-22(27)21(26)20(24-23(28)34-14-16-7-5-4-6-8-16)18-13-17(9-10-19(18)25(29)30)35-15-32-12-11-31-2/h4-10,13,20-21,26H,3,11-12,14-15H2,1-2H3,(H,24,28)/t20-,21+/m0/s1