3-[[1-(6-chloranylpyridin-3-yl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(6-chloranylpyridin-3-yl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(6-chloropyridine-3-carbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(6-chloro-3-pyridinyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(6-chloropyridine-3-carbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(6-chloronicotinoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C23H27ClN4O6S2 MolecularWeight: 555.06668

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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=CN=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O6S2/c24-18-9-8-16(14-25-18)23(32)27-10-11-28(36(33,34)20-7-4-12-35-20)22(27)21(31)26-17(13-19(29)30)15-5-2-1-3-6-15/h4,7-9,12,14-15,17,22H,1-3,5-6,10-11,13H2,(H,26,31)(H,29,30)