(2S)-2-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-[[(2R)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]butanoic acid CAS Name: (2S)-2-[[[(2R)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-4-(methylthio)-2-[[(2R)-1-tosylprolyl]amino]butyric acid Formula: C17H24N2O5S2 MolecularWeight: 400.51286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5S2/c1-12-5-7-13(8-6-12)26(23,24)19-10-3-4-15(19)16(20)18-14(17(21)22)9-11-25-2/h5-8,14-15H,3-4,9-11H2,1-2H3,(H,18,20)(H,21,22)/t14-,15+/m0/s1