5-(5-azanyl-3-fluoranyl-2-nitro-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Systemtic Name: 5-(5-azanyl-3-fluoranyl-2-nitro-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: 5-(5-amino-3-fluoro-2-nitro-phenyl)-2-(tert-butoxycarbonylamino)pentanoic acid CAS Name: 5-(5-amino-3-fluoro-2-nitrophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: 5-(5-amino-3-fluoro-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: 5-(5-amino-3-fluoro-2-nitro-phenyl)-2-(tert-butoxycarbonylamino)valeric acid Formula: C16H22FN3O6 MolecularWeight: 371.360783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCC1=CC(=CC(=C1[N+](=O)[O-])F)N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCC1=CC(=CC(=C1[N+](=O)[O-])F)N)C(=O)O

InChI

InChI=1S/C16H22FN3O6/c1-16(2,3)26-15(23)19-12(14(21)22)6-4-5-9-7-10(18)8-11(17)13(9)20(24)25/h7-8,12H,4-6,18H2,1-3H3,(H,19,23)(H,21,22)