3-cyclohexyl-3-[[1-(3,4-dichlorophenyl)sulfonyl-3-pyridin-4-ylcarbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-cyclohexyl-3-[[1-(3,4-dichlorophenyl)sulfonyl-3-pyridin-4-ylcarbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(3,4-dichlorophenyl)sulfonyl-3-(pyridine-4-carbonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-(3,4-dichlorophenyl)sulfonyl-3-[oxo(pyridin-4-yl)methyl]-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(3,4-dichlorophenyl)sulfonyl-3-(pyridine-4-carbonyl)imidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(3,4-dichlorophenyl)sulfonyl-3-isonicotinoyl-imidazolidine-2-carbonyl]amino]propionic acid Formula: C25H28Cl2N4O6S MolecularWeight: 583.48402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28Cl2N4O6S/c26-19-7-6-18(14-20(19)27)38(36,37)31-13-12-30(25(35)17-8-10-28-11-9-17)24(31)23(34)29-21(15-22(32)33)16-4-2-1-3-5-16/h6-11,14,16,21,24H,1-5,12-13,15H2,(H,29,34)(H,32,33)