4-[[3,5-bis(dihydroxyboranyl)phenyl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3,5-bis(dihydroxyboranyl)phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3,5-diboronophenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(3,5-diboronophenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(3,5-diboronophenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(3,5-diboronobenzyl)amino]-4-keto-butyric acid Formula: C11H15B2NO7 MolecularWeight: 294.8613

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC(=C1)CNC(=O)CCC(=O)O)B(O)O)(O)O

Isomeric SMILES

B(C1=CC(=CC(=C1)CNC(=O)CCC(=O)O)B(O)O)(O)O

InChI

InChI=1S/C11H15B2NO7/c15-10(1-2-11(16)17)14-6-7-3-8(12(18)19)5-9(4-7)13(20)21/h3-5,18-21H,1-2,6H2,(H,14,15)(H,16,17)