3-[(2R)-2-(dihydroxyboranyl)-2-(2-phenylethanoylamino)ethyl]benzoic acid

Systemtic Name: 3-[(2R)-2-(dihydroxyboranyl)-2-(2-phenylethanoylamino)ethyl]benzoic acid Openeye Name: 3-[(2R)-2-borono-2-[(2-phenylacetyl)amino]ethyl]benzoic acid CAS Name: 3-[(2R)-2-borono-2-[(1-oxo-2-phenylethyl)amino]ethyl]benzoic acid IUPAC Name: 3-[(2R)-2-borono-2-[(2-phenylacetyl)amino]ethyl]benzoic acid Traditional Name: 3-[(2R)-2-borono-2-[(2-phenylacetyl)amino]ethyl]benzoic acid Formula: C17H18BNO5 MolecularWeight: 327.13952

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC(=C1)C(=O)O)NC(=O)CC2=CC=CC=C2)(O)O

Isomeric SMILES

B([C@H](CC1=CC=CC(=C1)C(=O)O)NC(=O)CC2=CC=CC=C2)(O)O

InChI

InChI=1S/C17H18BNO5/c20-16(11-12-5-2-1-3-6-12)19-15(18(23)24)10-13-7-4-8-14(9-13)17(21)22/h1-9,15,23-24H,10-11H2,(H,19,20)(H,21,22)/t15-/m0/s1