ethyl (2S,3S)-3-(2-nitro-5-phenylmethoxy-phenyl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: ethyl (2S,3S)-3-(2-nitro-5-phenylmethoxy-phenyl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)propanoate Openeye Name: ethyl (2S,3S)-3-(benzyloxycarbonylamino)-3-(5-benzyloxy-2-nitro-phenyl)-2-hydroxy-propanoate CAS Name: (2S,3S)-2-hydroxy-3-(2-nitro-5-phenylmethoxyphenyl)-3-(phenylmethoxycarbonylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-2-hydroxy-3-(2-nitro-5-phenylmethoxyphenyl)-3-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S,3S)-3-(5-benzoxy-2-nitro-phenyl)-3-(benzyloxycarbonylamino)-2-hydroxy-propionic acid ethyl ester Formula: C26H26N2O8 MolecularWeight: 494.49324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=C(C=CC(=C1)OCC2=CC=CC=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)[C@H]([C@H](C1=C(C=CC(=C1)OCC2=CC=CC=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C26H26N2O8/c1-2-34-25(30)24(29)23(27-26(31)36-17-19-11-7-4-8-12-19)21-15-20(13-14-22(21)28(32)33)35-16-18-9-5-3-6-10-18/h3-15,23-24,29H,2,16-17H2,1H3,(H,27,31)/t23-,24-/m0/s1