(1-azanyl-3-methyl-butyl)boronic acid; 3-phenyl-2-(quinolin-8-ylsulfonylamino)propanoic acid

Systemtic Name: (1-azanyl-3-methyl-butyl)boronic acid; 3-phenyl-2-(quinolin-8-ylsulfonylamino)propanoic acid Openeye Name: (1-amino-3-methyl-butyl)boronic acid; 3-phenyl-2-(8-quinolylsulfonylamino)propanoic acid CAS Name: (1-amino-3-methylbutyl)boronic acid; 3-phenyl-2-(8-quinolinylsulfonylamino)propanoic acid IUPAC Name: (1-amino-3-methylbutyl)boronic acid; 3-phenyl-2-(quinolin-8-ylsulfonylamino)propanoic acid Traditional Name: (1-amino-3-methyl-butyl)boronic acid; 3-phenyl-2-(8-quinolylsulfonylamino)propionic acid Formula: C23H30BN3O6S MolecularWeight: 487.3768

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC(C)C)N)(O)O.C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

B(C(CC(C)C)N)(O)O.C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C18H16N2O4S.C5H14BNO2/c21-18(22)15(12-13-6-2-1-3-7-13)20-25(23,24)16-10-4-8-14-9-5-11-19-17(14)16;1-4(2)3-5(7)6(8)9/h1-11,15,20H,12H2,(H,21,22);4-5,8-9H,3,7H2,1-2H3