1-[2-[3-(methylsulfonylamino)-2-oxidanylidene-azepan-1-yl]ethanoylamino]propylboronic acid

Systemtic Name: 1-[2-[3-(methylsulfonylamino)-2-oxidanylidene-azepan-1-yl]ethanoylamino]propylboronic acid Openeye Name: 1-[[2-[3-(methanesulfonamido)-2-oxo-azepan-1-yl]acetyl]amino]propylboronic acid CAS Name: 1-[[2-[3-(methanesulfonamido)-2-oxo-1-azepanyl]-1-oxoethyl]amino]propylboronic acid IUPAC Name: 1-[[2-[3-(methanesulfonamido)-2-oxoazepan-1-yl]acetyl]amino]propylboronic acid Traditional Name: 1-[[2-[2-keto-3-(methanesulfonamido)azepan-1-yl]acetyl]amino]propylboronic acid Formula: C12H24BN3O6S MolecularWeight: 349.21146

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC)NC(=O)CN1CCCCC(C1=O)NS(=O)(=O)C)(O)O

Isomeric SMILES

B(C(CC)NC(=O)CN1CCCCC(C1=O)NS(=O)(=O)C)(O)O

InChI

InChI=1S/C12H24BN3O6S/c1-3-10(13(19)20)14-11(17)8-16-7-5-4-6-9(12(16)18)15-23(2,21)22/h9-10,15,19-20H,3-8H2,1-2H3,(H,14,17)