3,3-bis(fluoranyl)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]heptanedioic acid

Systemtic Name: 3,3-bis(fluoranyl)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]heptanedioic acid Openeye Name: 2,6-bis(tert-butoxycarbonylamino)-3,3-difluoro-heptanedioic acid CAS Name: 3,3-difluoro-2,6-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]heptanedioic acid IUPAC Name: 3,3-difluoro-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]heptanedioic acid Traditional Name: 2,6-bis(tert-butoxycarbonylamino)-3,3-difluoro-pimelic acid Formula: C17H28F2N2O8 MolecularWeight: 426.409626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28F2N2O8/c1-15(2,3)28-13(26)20-9(11(22)23)7-8-17(18,19)10(12(24)25)21-14(27)29-16(4,5)6/h9-10H,7-8H2,1-6H3,(H,20,26)(H,21,27)(H,22,23)(H,24,25)