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

Systemtic Name: 3-cyclohexyl-3-[[1-(3,3-dimethylbutanoyl)-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(3,3-dimethylbutanoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-(3,3-dimethyl-1-oxobutyl)-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(3,3-dimethylbutanoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(3,3-dimethylbutanoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C23H35N3O6S2 MolecularWeight: 513.6705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2CCCCC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2CCCCC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C23H35N3O6S2/c1-23(2,3)15-18(27)25-11-12-26(34(31,32)20-10-7-13-33-20)22(25)21(30)24-17(14-19(28)29)16-8-5-4-6-9-16/h7,10,13,16-17,22H,4-6,8-9,11-12,14-15H2,1-3H3,(H,24,30)(H,28,29)