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

Systemtic Name: 3-[2-(dihydroxyboranyl)-2-(3,3-dimethylbutanoylamino)ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-borono-2-(3,3-dimethylbutanoylamino)ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-borono-2-[(3,3-dimethyl-1-oxobutyl)amino]ethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-borono-2-(3,3-dimethylbutanoylamino)ethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-borono-2-(3,3-dimethylbutanoylamino)ethyl]-2-hydroxy-benzoic acid Formula: C15H22BNO6 MolecularWeight: 323.14928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22BNO6/c1-15(2,3)8-12(18)17-11(16(22)23)7-9-5-4-6-10(13(9)19)14(20)21/h4-6,11,19,22-23H,7-8H2,1-3H3,(H,17,18)(H,20,21)