2-azanyl-3-methyl-butanoic acid; 2-carbonofluoridoylbenzoic acid

Systemtic Name: 2-azanyl-3-methyl-butanoic acid; 2-carbonofluoridoylbenzoic acid Openeye Name: 2-amino-3-methyl-butanoic acid; 2-fluorocarbonylbenzoic acid CAS Name: 2-amino-3-methylbutanoic acid; 2-carbonofluoridoylbenzoic acid IUPAC Name: 2-amino-3-methylbutanoic acid; 2-carbonofluoridoylbenzoic acid Traditional Name: 2-amino-3-methyl-butyric acid; 2-fluorocarbonylbenzoic acid Formula: C37H31F4NO14 MolecularWeight: 789.633953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N.C1=CC=C(C(=C1)C(=O)O)C(=O)F.C1=CC=C(C(=C1)C(=O)O)C(=O)F.C1=CC=C(C(=C1)C(=O)O)C(=O)F.C1=CC=C(C(=C1)C(=O)O)C(=O)F

Isomeric SMILES

CC(C)C(C(=O)O)N.C1=CC=C(C(=C1)C(=O)O)C(=O)F.C1=CC=C(C(=C1)C(=O)O)C(=O)F.C1=CC=C(C(=C1)C(=O)O)C(=O)F.C1=CC=C(C(=C1)C(=O)O)C(=O)F

InChI

InChI=1S/4C8H5FO3.C5H11NO2/c4*9-7(10)5-3-1-2-4-6(5)8(11)12;1-3(2)4(6)5(7)8/h4*1-4H,(H,11,12);3-4H,6H2,1-2H3,(H,7,8)