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

Systemtic Name: 3-[[1-(6-chloranylpyridin-3-yl)carbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(6-chloropyridine-3-carbonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(6-chloro-3-pyridinyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(6-chloropyridine-3-carbonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-benzylsulfonyl-3-(6-chloronicotinoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C26H31ClN4O6S MolecularWeight: 563.06554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C26H31ClN4O6S/c27-22-12-11-20(16-28-22)26(35)30-13-14-31(38(36,37)17-18-7-3-1-4-8-18)25(30)24(34)29-21(15-23(32)33)19-9-5-2-6-10-19/h1,3-4,7-8,11-12,16,19,21,25H,2,5-6,9-10,13-15,17H2,(H,29,34)(H,32,33)