3-cyclohexyl-3-[[1-(3-methylphenyl)carbonyl-3-methylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[1-(3-methylphenyl)carbonyl-3-methylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(3-methylbenzoyl)-3-methylsulfonyl-imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3-methylphenyl)-oxomethyl]-3-methylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(3-methylbenzoyl)-3-methylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[(1-mesyl-3-m-toluoyl-imidazolidine-2-carbonyl)amino]propionic acid Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3CCCCC3)S(=O)(=O)C

InChI

InChI=1S/C22H31N3O6S/c1-15-7-6-10-17(13-15)22(29)24-11-12-25(32(2,30)31)21(24)20(28)23-18(14-19(26)27)16-8-4-3-5-9-16/h6-7,10,13,16,18,21H,3-5,8-9,11-12,14H2,1-2H3,(H,23,28)(H,26,27)