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

Systemtic Name: 3-[[1-(1,3-benzodioxol-5-ylcarbonyl)-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(1,3-benzodioxole-5-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[1,3-benzodioxol-5-yl(oxo)methyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(1,3-benzodioxole-5-carbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-cyclohexyl-3-[[1-piperonyloyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C25H29N3O8S2 MolecularWeight: 563.64306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC=CS3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC=CS3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H29N3O8S2/c29-21(30)14-18(16-5-2-1-3-6-16)26-23(31)24-27(10-11-28(24)38(33,34)22-7-4-12-37-22)25(32)17-8-9-19-20(13-17)36-15-35-19/h4,7-9,12-13,16,18,24H,1-3,5-6,10-11,14-15H2,(H,26,31)(H,29,30)