3-[2-(dihydroxyboranyl)-2-(2-methylpropanoylamino)ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[2-(dihydroxyboranyl)-2-(2-methylpropanoylamino)ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-borono-2-(2-methylpropanoylamino)ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-borono-2-[(2-methyl-1-oxopropyl)amino]ethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-borono-2-(2-methylpropanoylamino)ethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-borono-2-(isobutyrylamino)ethyl]-2-hydroxy-benzoic acid Formula: C13H18BNO6 MolecularWeight: 295.09612

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)C(C)C)(O)O

Isomeric SMILES

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)C(C)C)(O)O

InChI

InChI=1S/C13H18BNO6/c1-7(2)12(17)15-10(14(20)21)6-8-4-3-5-9(11(8)16)13(18)19/h3-5,7,10,16,20-21H,6H2,1-2H3,(H,15,17)(H,18,19)