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

Systemtic Name: 3-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]pentanoic acid Openeye Name: 3-methyl-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]pentanoic acid Traditional Name: 3-methyl-2-[(1-tosylprolyl)amino]valeric acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H26N2O5S/c1-4-13(3)16(18(22)23)19-17(21)15-6-5-11-20(15)26(24,25)14-9-7-12(2)8-10-14/h7-10,13,15-16H,4-6,11H2,1-3H3,(H,19,21)(H,22,23)