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

Systemtic Name: 3-[2-(2-acetamidoethanoylamino)-2-(dihydroxyboranyl)ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-[(2-acetamidoacetyl)amino]-2-borono-ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-[(2-acetamido-1-oxoethyl)amino]-2-boronoethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-[(2-acetamidoacetyl)amino]-2-boronoethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-[(2-acetamidoacetyl)amino]-2-borono-ethyl]-2-hydroxy-benzoic acid Formula: C13H17BN2O7 MolecularWeight: 324.09428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BN2O7/c1-7(17)15-6-11(18)16-10(14(22)23)5-8-3-2-4-9(12(8)19)13(20)21/h2-4,10,19,22-23H,5-6H2,1H3,(H,15,17)(H,16,18)(H,20,21)