[7-oxidanylidene-6-[(3-phenylphenyl)carbamoyl]-7-(pyridin-3-ylamino)heptyl]boronic acid

Systemtic Name: [7-oxidanylidene-6-[(3-phenylphenyl)carbamoyl]-7-(pyridin-3-ylamino)heptyl]boronic acid Openeye Name: [7-oxo-6-[(3-phenylphenyl)carbamoyl]-7-(3-pyridylamino)heptyl]boronic acid CAS Name: [7-oxo-6-[oxo-(3-phenylanilino)methyl]-7-(3-pyridinylamino)heptyl]boronic acid IUPAC Name: [7-oxo-6-[(3-phenylphenyl)carbamoyl]-7-(pyridin-3-ylamino)heptyl]boronic acid Traditional Name: [7-keto-6-[(3-phenylphenyl)carbamoyl]-7-(3-pyridylamino)heptyl]boronic acid Formula: C25H28BN3O4 MolecularWeight: 445.31852

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Descriptors Computed from Structure

Canonical SMILES:

B(CCCCCC(C(=O)NC1=CN=CC=C1)C(=O)NC2=CC=CC(=C2)C3=CC=CC=C3)(O)O

Isomeric SMILES

B(CCCCCC(C(=O)NC1=CN=CC=C1)C(=O)NC2=CC=CC(=C2)C3=CC=CC=C3)(O)O

InChI

InChI=1S/C25H28BN3O4/c30-24(28-21-12-7-11-20(17-21)19-9-3-1-4-10-19)23(14-5-2-6-15-26(32)33)25(31)29-22-13-8-16-27-18-22/h1,3-4,7-13,16-18,23,32-33H,2,5-6,14-15H2,(H,28,30)(H,29,31)