[3-methyl-1-[[4-phenyl-2-(quinolin-2-ylcarbonylamino)butanoyl]amino]butyl]boronic acid

Systemtic Name: [3-methyl-1-[[4-phenyl-2-(quinolin-2-ylcarbonylamino)butanoyl]amino]butyl]boronic acid Openeye Name: [3-methyl-1-[[4-phenyl-2-(quinoline-2-carbonylamino)butanoyl]amino]butyl]boronic acid CAS Name: [3-methyl-1-[[1-oxo-2-[[oxo(2-quinolinyl)methyl]amino]-4-phenylbutyl]amino]butyl]boronic acid IUPAC Name: [3-methyl-1-[[4-phenyl-2-(quinoline-2-carbonylamino)butanoyl]amino]butyl]boronic acid Traditional Name: [3-methyl-1-[[4-phenyl-2-(quinaldoylamino)butanoyl]amino]butyl]boronic acid Formula: C25H30BN3O4 MolecularWeight: 447.3344

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC(C)C)NC(=O)C(CCC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)(O)O

Isomeric SMILES

B(C(CC(C)C)NC(=O)C(CCC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)(O)O

InChI

InChI=1S/C25H30BN3O4/c1-17(2)16-23(26(32)33)29-25(31)22(14-12-18-8-4-3-5-9-18)28-24(30)21-15-13-19-10-6-7-11-20(19)27-21/h3-11,13,15,17,22-23,32-33H,12,14,16H2,1-2H3,(H,28,30)(H,29,31)