(2S,3S)-3-azanyl-4-[1-(4,5-dimethoxy-2-nitro-phenyl)ethoxy]-4-oxidanylidene-2-phenylmethoxy-butanoic acid

Systemtic Name: (2S,3S)-3-azanyl-4-[1-(4,5-dimethoxy-2-nitro-phenyl)ethoxy]-4-oxidanylidene-2-phenylmethoxy-butanoic acid Openeye Name: (2S,3S)-3-amino-2-benzyloxy-4-[1-(4,5-dimethoxy-2-nitro-phenyl)ethoxy]-4-oxo-butanoic acid CAS Name: (2S,3S)-3-amino-4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]-4-oxo-2-phenylmethoxybutanoic acid IUPAC Name: (2S,3S)-3-amino-4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]-4-oxo-2-phenylmethoxybutanoic acid Traditional Name: (2S,3S)-3-amino-2-benzoxy-4-[1-(4,5-dimethoxy-2-nitro-phenyl)ethoxy]-4-keto-butyric acid Formula: C21H24N2O9 MolecularWeight: 448.42326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O9/c1-12(14-9-16(29-2)17(30-3)10-15(14)23(27)28)32-21(26)18(22)19(20(24)25)31-11-13-7-5-4-6-8-13/h4-10,12,18-19H,11,22H2,1-3H3,(H,24,25)/t12?,18-,19-/m0/s1