methyl (2S)-2-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[(2R)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]butanoate CAS Name: (2S)-2-[[[(2R)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-[[(2R)-1-tosylprolyl]amino]butyric acid methyl ester Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S2/c1-13-6-8-14(9-7-13)27(23,24)20-11-4-5-16(20)17(21)19-15(10-12-26-3)18(22)25-2/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,19,21)/t15-,16+/m0/s1