3-[(2R)-2-(dihydroxyboranyl)-2-(2-phenylethanoylamino)ethyl]-2-oxidanyl-benzoate

Systemtic Name: 3-[(2R)-2-(dihydroxyboranyl)-2-(2-phenylethanoylamino)ethyl]-2-oxidanyl-benzoate Openeye Name: 3-[(2R)-2-borono-2-[(2-phenylacetyl)amino]ethyl]-2-hydroxy-benzoate CAS Name: 3-[(2R)-2-borono-2-[(1-oxo-2-phenylethyl)amino]ethyl]-2-hydroxybenzoate IUPAC Name: 3-[(2R)-2-borono-2-[(2-phenylacetyl)amino]ethyl]-2-hydroxybenzoate Traditional Name: 3-[(2R)-2-borono-2-[(2-phenylacetyl)amino]ethyl]-2-hydroxy-benzoate Formula: C17H17BNO6- MolecularWeight: 342.13098

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC(=C1O)C(=O)[O-])NC(=O)CC2=CC=CC=C2)(O)O

Isomeric SMILES

B([C@H](CC1=CC=CC(=C1O)C(=O)[O-])NC(=O)CC2=CC=CC=C2)(O)O

InChI

InChI=1S/C17H18BNO6/c20-15(9-11-5-2-1-3-6-11)19-14(18(24)25)10-12-7-4-8-13(16(12)21)17(22)23/h1-8,14,21,24-25H,9-10H2,(H,19,20)(H,22,23)/p-1/t14-/m0/s1