3-cyclohexyl-3-[[1-methylsulfonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[1-methylsulfonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[(1-benzylsulfonyl-3-methylsulfonyl-imidazolidine-2-carbonyl)amino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-methylsulfonyl-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(1-benzylsulfonyl-3-methylsulfonylimidazolidine-2-carbonyl)amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[(1-benzylsulfonyl-3-mesyl-imidazolidine-2-carbonyl)amino]-3-cyclohexyl-propionic acid Formula: C21H31N3O7S2 MolecularWeight: 501.61674

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2CCCCC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2CCCCC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O7S2/c1-32(28,29)23-12-13-24(33(30,31)15-16-8-4-2-5-9-16)21(23)20(27)22-18(14-19(25)26)17-10-6-3-7-11-17/h2,4-5,8-9,17-18,21H,3,6-7,10-15H2,1H3,(H,22,27)(H,25,26)