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

Systemtic Name: 3-(4-iodophenyl)-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(4-iodophenyl)-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(4-iodophenyl)-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-iodophenyl)-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-(4-iodophenyl)-2-[(1-tosylprolyl)amino]propionic acid Formula: C21H23IN2O5S MolecularWeight: 542.38719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)I)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)I)C(=O)O

InChI

InChI=1S/C21H23IN2O5S/c1-14-4-10-17(11-5-14)30(28,29)24-12-2-3-19(24)20(25)23-18(21(26)27)13-15-6-8-16(22)9-7-15/h4-11,18-19H,2-3,12-13H2,1H3,(H,23,25)(H,26,27)