2-azanyl-4-methyl-pentanoic acid; boric acid; 4-phenyl-2-(quinolin-2-ylsulfonylamino)butanoic acid

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; boric acid; 4-phenyl-2-(quinolin-2-ylsulfonylamino)butanoic acid Openeye Name: 2-amino-4-methyl-pentanoic acid; boric acid; 4-phenyl-2-(2-quinolylsulfonylamino)butanoic acid CAS Name: 2-amino-4-methylpentanoic acid; boric acid; 4-phenyl-2-(2-quinolinylsulfonylamino)butanoic acid IUPAC Name: 2-amino-4-methylpentanoic acid; boric acid; 4-phenyl-2-(quinolin-2-ylsulfonylamino)butanoic acid Traditional Name: 2-amino-4-methyl-valeric acid; boric acid; 4-phenyl-2-(2-quinolylsulfonylamino)butyric acid Formula: C25H34BN3O9S MolecularWeight: 563.42816

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Descriptors Computed from Structure

Canonical SMILES:

B(O)(O)O.CC(C)CC(C(=O)O)N.C1=CC=C(C=C1)CCC(C(=O)O)NS(=O)(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

B(O)(O)O.CC(C)CC(C(=O)O)N.C1=CC=C(C=C1)CCC(C(=O)O)NS(=O)(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H18N2O4S.C6H13NO2.BH3O3/c22-19(23)17(12-10-14-6-2-1-3-7-14)21-26(24,25)18-13-11-15-8-4-5-9-16(15)20-18;1-4(2)3-5(7)6(8)9;2-1(3)4/h1-9,11,13,17,21H,10,12H2,(H,22,23);4-5H,3,7H2,1-2H3,(H,8,9);2-4H