tert-butyl (2S,3R)-3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: tert-butyl (2S,3R)-3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: tert-butyl (2S,3R)-2-(benzyloxycarbonylamino)-3-(4-nitrophenyl)butanoate CAS Name: (2S,3R)-3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S,3R)-2-(benzyloxycarbonylamino)-3-(4-nitrophenyl)butyric acid tert-butyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-15(17-10-12-18(13-11-17)24(27)28)19(20(25)30-22(2,3)4)23-21(26)29-14-16-8-6-5-7-9-16/h5-13,15,19H,14H2,1-4H3,(H,23,26)/t15-,19+/m1/s1