2-azanyl-6-(6-octylpyridin-3-yl)-3,4-bis(oxidanyl)-2-(sulfamoylmethyl)hexanoic acid

Systemtic Name: 2-azanyl-6-(6-octylpyridin-3-yl)-3,4-bis(oxidanyl)-2-(sulfamoylmethyl)hexanoic acid Openeye Name: 2-amino-3,4-dihydroxy-6-(6-octyl-3-pyridyl)-2-(sulfamoylmethyl)hexanoic acid CAS Name: 2-amino-3,4-dihydroxy-6-(6-octyl-3-pyridinyl)-2-(sulfamoylmethyl)hexanoic acid IUPAC Name: 2-amino-3,4-dihydroxy-6-(6-octylpyridin-3-yl)-2-(sulfamoylmethyl)hexanoic acid Traditional Name: 2-amino-3,4-dihydroxy-6-(6-octyl-3-pyridyl)-2-(sulfamoylmethyl)hexanoic acid Formula: C20H35N3O6S MolecularWeight: 445.5734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=C(C=C1)CCC(C(C(CS(=O)(=O)N)(C(=O)O)N)O)O

Isomeric SMILES

CCCCCCCCC1=NC=C(C=C1)CCC(C(C(CS(=O)(=O)N)(C(=O)O)N)O)O

InChI

InChI=1S/C20H35N3O6S/c1-2-3-4-5-6-7-8-16-11-9-15(13-23-16)10-12-17(24)18(25)20(21,19(26)27)14-30(22,28)29/h9,11,13,17-18,24-25H,2-8,10,12,14,21H2,1H3,(H,26,27)(H2,22,28,29)