3-[[2,2-bis(fluoranyl)-5-methyl-3-oxidanylidene-hexanoyl]amino]propanoic acid

Systemtic Name: 3-[[2,2-bis(fluoranyl)-5-methyl-3-oxidanylidene-hexanoyl]amino]propanoic acid Openeye Name: 3-[(2,2-difluoro-5-methyl-3-oxo-hexanoyl)amino]propanoic acid CAS Name: 3-[(2,2-difluoro-5-methyl-1,3-dioxohexyl)amino]propanoic acid IUPAC Name: 3-[(2,2-difluoro-5-methyl-3-oxohexanoyl)amino]propanoic acid Traditional Name: 3-[(2,2-difluoro-3-keto-5-methyl-hexanoyl)amino]propionic acid Formula: C10H15F2NO4 MolecularWeight: 251.227206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(C(=O)NCCC(=O)O)(F)F

Isomeric SMILES

CC(C)CC(=O)C(C(=O)NCCC(=O)O)(F)F

InChI

InChI=1S/C10H15F2NO4/c1-6(2)5-7(14)10(11,12)9(17)13-4-3-8(15)16/h6H,3-5H2,1-2H3,(H,13,17)(H,15,16)