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

Systemtic Name: 3-[2-(3-azanylpropanoylamino)-2-(dihydroxyboranyl)ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-(3-aminopropanoylamino)-2-borono-ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-[(3-amino-1-oxopropyl)amino]-2-boronoethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-(3-aminopropanoylamino)-2-boronoethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-(3-aminopropanoylamino)-2-borono-ethyl]-2-hydroxy-benzoic acid Formula: C12H17BN2O6 MolecularWeight: 296.08418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BN2O6/c14-5-4-10(16)15-9(13(20)21)6-7-2-1-3-8(11(7)17)12(18)19/h1-3,9,17,20-21H,4-6,14H2,(H,15,16)(H,18,19)