3-[[1-(1,3-benzodioxol-5-ylcarbonyl)-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(1,3-benzodioxol-5-ylcarbonyl)-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(1,3-benzodioxole-5-carbonyl)-3-benzylsulfonyl-imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(1,3-benzodioxole-5-carbonyl)-3-benzylsulfonylimidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[(1-benzylsulfonyl-3-piperonyloyl-imidazolidine-2-carbonyl)amino]-3-cyclohexyl-propionic acid Formula: C28H33N3O8S MolecularWeight: 571.64192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H33N3O8S/c32-25(33)16-22(20-9-5-2-6-10-20)29-26(34)27-30(28(35)21-11-12-23-24(15-21)39-18-38-23)13-14-31(27)40(36,37)17-19-7-3-1-4-8-19/h1,3-4,7-8,11-12,15,20,22,27H,2,5-6,9-10,13-14,16-18H2,(H,29,34)(H,32,33)