1-[[2-[3-(methylsulfonylamino)-2-oxidanylidene-3-propan-2-yl-piperidin-1-yl]-2-phenyl-ethanoyl]amino]propylboronic acid

Systemtic Name: 1-[[2-[3-(methylsulfonylamino)-2-oxidanylidene-3-propan-2-yl-piperidin-1-yl]-2-phenyl-ethanoyl]amino]propylboronic acid Openeye Name: 1-[[2-[3-isopropyl-3-(methanesulfonamido)-2-oxo-1-piperidyl]-2-phenyl-acetyl]amino]propylboronic acid CAS Name: 1-[[2-[3-(methanesulfonamido)-2-oxo-3-propan-2-yl-1-piperidinyl]-1-oxo-2-phenylethyl]amino]propylboronic acid IUPAC Name: 1-[[2-[3-(methanesulfonamido)-2-oxo-3-propan-2-ylpiperidin-1-yl]-2-phenylacetyl]amino]propylboronic acid Traditional Name: 1-[[2-[3-isopropyl-2-keto-3-(methanesulfonamido)piperidino]-2-phenyl-acetyl]amino]propylboronic acid Formula: C20H32BN3O6S MolecularWeight: 453.36058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C(CC)NC(=O)C(C1=CC=CC=C1)N2CCCC(C2=O)(C(C)C)NS(=O)(=O)C)(O)O

Isomeric SMILES

B(C(CC)NC(=O)C(C1=CC=CC=C1)N2CCCC(C2=O)(C(C)C)NS(=O)(=O)C)(O)O

InChI

InChI=1S/C20H32BN3O6S/c1-5-16(21(27)28)22-18(25)17(15-10-7-6-8-11-15)24-13-9-12-20(14(2)3,19(24)26)23-31(4,29)30/h6-8,10-11,14,16-17,23,27-28H,5,9,12-13H2,1-4H3,(H,22,25)