2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]sulfanylcarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]sulfanylcarbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-phenyl-2-[[1-(p-tolylsulfonyl)pyrrolidin-2-yl]sulfanylcarbonylamino]propanoic acid CAS Name: 2-[[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]thio]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]sulfanylcarbonylamino]-3-phenylpropanoic acid Traditional Name: 3-phenyl-2-[[(1-tosylpyrrolidin-2-yl)thio]carbonylamino]propionic acid Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2SC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2SC(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H24N2O5S2/c1-15-9-11-17(12-10-15)30(27,28)23-13-5-8-19(23)29-21(26)22-18(20(24)25)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3,(H,22,26)(H,24,25)