(2S,3S)-3-(3-nitrophenyl)-3-oxidanyl-2-(2-phenylethanoylamino)propanoate

Systemtic Name: (2S,3S)-3-(3-nitrophenyl)-3-oxidanyl-2-(2-phenylethanoylamino)propanoate Openeye Name: (2S,3S)-3-hydroxy-3-(3-nitrophenyl)-2-[(2-phenylacetyl)amino]propanoate CAS Name: (2S,3S)-3-hydroxy-3-(3-nitrophenyl)-2-[(1-oxo-2-phenylethyl)amino]propanoate IUPAC Name: (2S,3S)-3-hydroxy-3-(3-nitrophenyl)-2-[(2-phenylacetyl)amino]propanoate Traditional Name: (2S,3S)-3-hydroxy-3-(3-nitrophenyl)-2-[(2-phenylacetyl)amino]propionate Formula: C17H15N2O6- MolecularWeight: 343.3108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6/c20-14(9-11-5-2-1-3-6-11)18-15(17(22)23)16(21)12-7-4-8-13(10-12)19(24)25/h1-8,10,15-16,21H,9H2,(H,18,20)(H,22,23)/p-1/t15-,16-/m0/s1