(1-azanyl-3-methyl-butyl)boronic acid; 3-phenyl-2-(pyridin-2-ylcarbonylamino)propanoic acid

Systemtic Name: (1-azanyl-3-methyl-butyl)boronic acid; 3-phenyl-2-(pyridin-2-ylcarbonylamino)propanoic acid Openeye Name: (1-amino-3-methyl-butyl)boronic acid; 3-phenyl-2-(pyridine-2-carbonylamino)propanoic acid CAS Name: (1-amino-3-methylbutyl)boronic acid; 2-[[oxo(2-pyridinyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: (1-amino-3-methylbutyl)boronic acid; 3-phenyl-2-(pyridine-2-carbonylamino)propanoic acid Traditional Name: (1-amino-3-methyl-butyl)boronic acid; 3-phenyl-2-picolinamido-propionic acid Formula: C20H28BN3O5 MolecularWeight: 401.26442

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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)NC(=O)C2=CC=CC=N2

Isomeric SMILES

B(C(CC(C)C)N)(O)O.C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=N2

InChI

InChI=1S/C15H14N2O3.C5H14BNO2/c18-14(12-8-4-5-9-16-12)17-13(15(19)20)10-11-6-2-1-3-7-11;1-4(2)3-5(7)6(8)9/h1-9,13H,10H2,(H,17,18)(H,19,20);4-5,8-9H,3,7H2,1-2H3