3-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]butanoic acid CAS Name: 3-methyl-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]butanoic acid Traditional Name: 3-methyl-2-[(1-tosylprolyl)amino]butyric acid Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5S/c1-11(2)15(17(21)22)18-16(20)14-5-4-10-19(14)25(23,24)13-8-6-12(3)7-9-13/h6-9,11,14-15H,4-5,10H2,1-3H3,(H,18,20)(H,21,22)