(E)-7-azanyl-6-fluoranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-5-enoic acid

Systemtic Name: (E)-7-azanyl-6-fluoranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-5-enoic acid Openeye Name: (E)-7-amino-2-(tert-butoxycarbonylamino)-6-fluoro-hept-5-enoic acid CAS Name: (E)-7-amino-6-fluoro-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-heptenoic acid IUPAC Name: (E)-7-amino-6-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-5-enoic acid Traditional Name: (E)-7-amino-2-(tert-butoxycarbonylamino)-6-fluoro-hept-5-enoic acid Formula: C12H21FN2O4 MolecularWeight: 276.304543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC=C(CN)F)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC/C=C(\CN)/F)C(=O)O

InChI

InChI=1S/C12H21FN2O4/c1-12(2,3)19-11(18)15-9(10(16)17)6-4-5-8(13)7-14/h5,9H,4,6-7,14H2,1-3H3,(H,15,18)(H,16,17)/b8-5+