3-cyclohexyl-3-[(1-pyridin-4-ylcarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[(1-pyridin-4-ylcarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(pyridine-4-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[oxo-[1-[oxo(pyridin-4-yl)methyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(pyridine-4-carbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-isonicotinoyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C23H28N4O6S2 MolecularWeight: 520.62162

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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=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O6S2/c28-19(29)15-18(16-5-2-1-3-6-16)25-21(30)22-26(23(31)17-8-10-24-11-9-17)12-13-27(22)35(32,33)20-7-4-14-34-20/h4,7-11,14,16,18,22H,1-3,5-6,12-13,15H2,(H,25,30)(H,28,29)