(2R)-2-[deuterio(methanoyl)amino]-3-methyl-3-(4-methylphenyl)sulfonylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[deuterio(methanoyl)amino]-3-methyl-3-(4-methylphenyl)sulfonylsulfanyl-butanoic acid Openeye Name: (2R)-2-[deuterio(formyl)amino]-3-methyl-3-(p-tolylsulfonylsulfanyl)butanoic acid CAS Name: (2R)-2-[deuterio(formyl)amino]-3-methyl-3-[(4-methylphenyl)sulfonylthio]butanoic acid IUPAC Name: (2R)-2-[deuterio(formyl)amino]-3-methyl-3-(4-methylphenyl)sulfonylsulfanylbutanoic acid Traditional Name: (2R)-2-[deuterio(formyl)amino]-3-methyl-3-(tosylthio)butyric acid Formula: C13H17NO5S2 MolecularWeight: 332.413942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC(C)(C)C(C(=O)O)NC=O

Isomeric SMILES

[2H]N(C=O)[C@H](C(=O)O)C(C)(C)SS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C13H17NO5S2/c1-9-4-6-10(7-5-9)21(18,19)20-13(2,3)11(12(16)17)14-8-15/h4-8,11H,1-3H3,(H,14,15)(H,16,17)/t11-/m1/s1/i/hD