methyl (2R)-2-acetamido-3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylsulfanyl-propanoate

Systemtic Name: methyl (2R)-2-acetamido-3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylsulfanyl-propanoate Openeye Name: methyl (2R)-2-acetamido-3-[(2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-[[[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-acetamido-3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-[[(2S)-1-tosylprolyl]thio]propionic acid methyl ester Formula: C18H24N2O6S2 MolecularWeight: 428.52296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)SCC(C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)SC[C@@H](C(=O)OC)NC(=O)C

InChI

InChI=1S/C18H24N2O6S2/c1-12-6-8-14(9-7-12)28(24,25)20-10-4-5-16(20)18(23)27-11-15(17(22)26-3)19-13(2)21/h6-9,15-16H,4-5,10-11H2,1-3H3,(H,19,21)/t15-,16-/m0/s1