3-(3-acetamidopropylsulfonyloxy)-5-ethoxycarbonyloxy-2,2,3-trimethyl-pentanoic acid

Systemtic Name: 3-(3-acetamidopropylsulfonyloxy)-5-ethoxycarbonyloxy-2,2,3-trimethyl-pentanoic acid Openeye Name: 3-(3-acetamidopropylsulfonyloxy)-5-ethoxycarbonyloxy-2,2,3-trimethyl-pentanoic acid CAS Name: 3-(3-acetamidopropylsulfonyloxy)-5-ethoxycarbonyloxy-2,2,3-trimethylpentanoic acid IUPAC Name: 3-(3-acetamidopropylsulfonyloxy)-5-ethoxycarbonyloxy-2,2,3-trimethylpentanoic acid Traditional Name: 3-(3-acetamidopropylsulfonyloxy)-5-carbethoxyoxy-2,2,3-trimethyl-valeric acid Formula: C16H29NO9S MolecularWeight: 411.46776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OCCC(C)(C(C)(C)C(=O)O)OS(=O)(=O)CCCNC(=O)C

Isomeric SMILES

CCOC(=O)OCCC(C)(C(C)(C)C(=O)O)OS(=O)(=O)CCCNC(=O)C

InChI

InChI=1S/C16H29NO9S/c1-6-24-14(21)25-10-8-16(5,15(3,4)13(19)20)26-27(22,23)11-7-9-17-12(2)18/h6-11H2,1-5H3,(H,17,18)(H,19,20)