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

Systemtic Name: 3-[2-(dihydroxyboranyl)-2-(hexanoylamino)ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-borono-2-(hexanoylamino)ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-borono-2-(1-oxohexylamino)ethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-borono-2-(hexanoylamino)ethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-borono-2-(caproylamino)ethyl]-2-hydroxy-benzoic acid Formula: C15H22BNO6 MolecularWeight: 323.14928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22BNO6/c1-2-3-4-8-13(18)17-12(16(22)23)9-10-6-5-7-11(14(10)19)15(20)21/h5-7,12,19,22-23H,2-4,8-9H2,1H3,(H,17,18)(H,20,21)