3-azanyl-4-(2,4-dimethylpentan-3-ylamino)-4-oxidanylidene-butanoate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 3-azanyl-4-(2,4-dimethylpentan-3-ylamino)-4-oxidanylidene-butanoate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 3-amino-4-[(1-isopropyl-2-methyl-propyl)amino]-4-oxo-butanoate; 2,2,2-trifluoroacetate CAS Name: 3-amino-4-(2,4-dimethylpentan-3-ylamino)-4-oxobutanoate; 2,2,2-trifluoroacetate IUPAC Name: 3-amino-4-(2,4-dimethylpentan-3-ylamino)-4-oxobutanoate; 2,2,2-trifluoroacetate Traditional Name: 3-amino-4-[(1-isopropyl-2-methyl-propyl)amino]-4-keto-butyrate; 2,2,2-trifluoroacetate Formula: C13H21F3N2O5-2 MolecularWeight: 342.31145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)NC(=O)C(CC(=O)[O-])N.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(C)C(C(C)C)NC(=O)C(CC(=O)[O-])N.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C11H22N2O3.C2HF3O2/c1-6(2)10(7(3)4)13-11(16)8(12)5-9(14)15;3-2(4,5)1(6)7/h6-8,10H,5,12H2,1-4H3,(H,13,16)(H,14,15);(H,6,7)/p-2