2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[(1-tosylprolyl)amino]propionic acid Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O6S/c1-10-4-6-11(7-5-10)24(22,23)17-8-2-3-13(17)14(19)16-12(9-18)15(20)21/h4-7,12-13,18H,2-3,8-9H2,1H3,(H,16,19)(H,20,21)