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

Systemtic Name: 3-[2-(dihydroxyboranyl)-2-(heptanoylamino)ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-borono-2-(heptanoylamino)ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-borono-2-(1-oxoheptylamino)ethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-borono-2-(heptanoylamino)ethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-borono-2-(enanthylamino)ethyl]-2-hydroxy-benzoic acid Formula: C16H24BNO6 MolecularWeight: 337.17586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24BNO6/c1-2-3-4-5-9-14(19)18-13(17(23)24)10-11-7-6-8-12(15(11)20)16(21)22/h6-8,13,20,23-24H,2-5,9-10H2,1H3,(H,18,19)(H,21,22)