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

Systemtic Name: 3-[2-(2-benzamidoethanoylamino)-2-(dihydroxyboranyl)ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-[(2-benzamidoacetyl)amino]-2-borono-ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-[(2-benzamido-1-oxoethyl)amino]-2-boronoethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-[(2-benzamidoacetyl)amino]-2-boronoethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-borono-2-(hippuroylamino)ethyl]-2-hydroxy-benzoic acid Formula: C18H19BN2O7 MolecularWeight: 386.16366

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)CNC(=O)C2=CC=CC=C2)(O)O

Isomeric SMILES

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)CNC(=O)C2=CC=CC=C2)(O)O

InChI

InChI=1S/C18H19BN2O7/c22-15(10-20-17(24)11-5-2-1-3-6-11)21-14(19(27)28)9-12-7-4-8-13(16(12)23)18(25)26/h1-8,14,23,27-28H,9-10H2,(H,20,24)(H,21,22)(H,25,26)