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

Systemtic Name: 3-cyclohexyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-2-[(1-tosylprolyl)amino]propionic acid Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3CCCCC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3CCCCC3)C(=O)O

InChI

InChI=1S/C21H30N2O5S/c1-15-9-11-17(12-10-15)29(27,28)23-13-5-8-19(23)20(24)22-18(21(25)26)14-16-6-3-2-4-7-16/h9-12,16,18-19H,2-8,13-14H2,1H3,(H,22,24)(H,25,26)