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The molecular formula is C13H21F3N2O5.
The molecular weight is 342.31 g/mol.
The IUPAC name is (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(2,2,2-trifluoroacetamido)hexanoic acid.
The InChI is InChI=1S/C13H21F3N2O5/c1-12(2,3)23-11(22)18-8(9(19)20)6-4-5-7-17-10(21)13(14,15)16/h8H,4-7H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t8-/m1/s1.
The InChIKey is DEIYNDIFGSDDCY-MRVPVSSYSA-N.
The canonical SMILES is CC(C)(C)OC(=O)NC(CCCCNC(=O)C(F)(F)F)C(=O)O.
The isomeric SMILES is CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)C(F)(F)F)C(=O)O.
The CAS number is 96561-04-5.
The XLogP3-AA value is 2.1.
The hydrogen bond donor count is 3.
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