(2S)-3-(4-fluoranyl-3-nitro-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(4-fluoranyl-3-nitro-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-fluoro-3-nitro-phenyl)propanoic acid CAS Name: (2S)-3-(4-fluoro-3-nitrophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(4-fluoro-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-fluoro-3-nitro-phenyl)propionic acid Formula: C14H17FN2O6 MolecularWeight: 328.292983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H17FN2O6/c1-14(2,3)23-13(20)16-10(12(18)19)6-8-4-5-9(15)11(7-8)17(21)22/h4-5,7,10H,6H2,1-3H3,(H,16,20)(H,18,19)/t10-/m0/s1