(1-azanyl-3-methyl-butyl)boronic acid; 2-isocyanato-3-quinolin-6-yl-propanoic acid

Systemtic Name: (1-azanyl-3-methyl-butyl)boronic acid; 2-isocyanato-3-quinolin-6-yl-propanoic acid Openeye Name: (1-amino-3-methyl-butyl)boronic acid; 2-isocyanato-3-(6-quinolyl)propanoic acid CAS Name: (1-amino-3-methylbutyl)boronic acid; 2-isocyanato-3-(6-quinolinyl)propanoic acid IUPAC Name: (1-amino-3-methylbutyl)boronic acid; 2-isocyanato-3-quinolin-6-ylpropanoic acid Traditional Name: (1-amino-3-methyl-butyl)boronic acid; 2-isocyanato-3-(6-quinolyl)propionic acid Formula: C18H24BN3O5 MolecularWeight: 373.21126

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC(C)C)N)(O)O.C1=CC2=C(C=CC(=C2)CC(C(=O)O)N=C=O)N=C1

Isomeric SMILES

B(C(CC(C)C)N)(O)O.C1=CC2=C(C=CC(=C2)CC(C(=O)O)N=C=O)N=C1

InChI

InChI=1S/C13H10N2O3.C5H14BNO2/c16-8-15-12(13(17)18)7-9-3-4-11-10(6-9)2-1-5-14-11;1-4(2)3-5(7)6(8)9/h1-6,12H,7H2,(H,17,18);4-5,8-9H,3,7H2,1-2H3