[3-methyl-1-(5-naphthalen-1-ylpentanoylamino)-2-oxidanyl-butyl]boronic acid

Systemtic Name: [3-methyl-1-(5-naphthalen-1-ylpentanoylamino)-2-oxidanyl-butyl]boronic acid Openeye Name: [2-hydroxy-3-methyl-1-[5-(1-naphthyl)pentanoylamino]butyl]boronic acid CAS Name: [2-hydroxy-3-methyl-1-[[5-(1-naphthalenyl)-1-oxopentyl]amino]butyl]boronic acid IUPAC Name: [2-hydroxy-3-methyl-1-(5-naphthalen-1-ylpentanoylamino)butyl]boronic acid Traditional Name: [2-hydroxy-3-methyl-1-[5-(1-naphthyl)pentanoylamino]butyl]boronic acid Formula: C20H28BNO4 MolecularWeight: 357.25162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C(C(C(C)C)O)NC(=O)CCCCC1=CC=CC2=CC=CC=C21)(O)O

Isomeric SMILES

B(C(C(C(C)C)O)NC(=O)CCCCC1=CC=CC2=CC=CC=C21)(O)O

InChI

InChI=1S/C20H28BNO4/c1-14(2)19(24)20(21(25)26)22-18(23)13-6-4-9-16-11-7-10-15-8-3-5-12-17(15)16/h3,5,7-8,10-12,14,19-20,24-26H,4,6,9,13H2,1-2H3,(H,22,23)