5-[6-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]-2-methyl-1,3-dioxane-2-carboxylic acid

Systemtic Name: 5-[6-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[6-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[[[6-[[[(2-carboxy-2-methyl-1,3-dioxan-5-yl)thio]-oxomethyl]amino]hexylamino]-oxomethyl]thio]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[6-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)sulfanylcarbonylamino]hexylcarbamoylsulfanyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[6-[[(2-carboxy-2-methyl-1,3-dioxan-5-yl)thio]carbonylamino]hexylcarbamoylthio]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C20H32N2O10S2 MolecularWeight: 524.60548

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)SC(=O)NCCCCCCNC(=O)SC2COC(OC2)(C)C(=O)O)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)SC(=O)NCCCCCCNC(=O)SC2COC(OC2)(C)C(=O)O)C(=O)O

InChI

InChI=1S/C20H32N2O10S2/c1-19(15(23)24)29-9-13(10-30-19)33-17(27)21-7-5-3-4-6-8-22-18(28)34-14-11-31-20(2,16(25)26)32-12-14/h13-14H,3-12H2,1-2H3,(H,21,27)(H,22,28)(H,23,24)(H,25,26)