5-[[3-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)sulfanylcarbonylamino]-2-oxidanyl-propyl]carbamoylsulfanyl]-2-methyl-1,3-dioxane-2-carboxylic acid

Systemtic Name: 5-[[3-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)sulfanylcarbonylamino]-2-oxidanyl-propyl]carbamoylsulfanyl]-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[[3-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)sulfanylcarbonylamino]-2-hydroxy-propyl]carbamoylsulfanyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[[[[3-[[[(2-carboxy-2-methyl-1,3-dioxan-5-yl)thio]-oxomethyl]amino]-2-hydroxypropyl]amino]-oxomethyl]thio]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[[3-[(2-carboxy-2-methyl-1,3-dioxan-5-yl)sulfanylcarbonylamino]-2-hydroxypropyl]carbamoylsulfanyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[[3-[[(2-carboxy-2-methyl-1,3-dioxan-5-yl)thio]carbonylamino]-2-hydroxy-propyl]carbamoylthio]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C17H26N2O11S2 MolecularWeight: 498.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)SC(=O)NCC(CNC(=O)SC2COC(OC2)(C)C(=O)O)O)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)SC(=O)NCC(CNC(=O)SC2COC(OC2)(C)C(=O)O)O)C(=O)O

InChI

InChI=1S/C17H26N2O11S2/c1-16(12(21)22)27-5-10(6-28-16)31-14(25)18-3-9(20)4-19-15(26)32-11-7-29-17(2,13(23)24)30-8-11/h9-11,20H,3-8H2,1-2H3,(H,18,25)(H,19,26)(H,21,22)(H,23,24)