3-[[1-(5-bromanylpyridin-3-yl)carbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(5-bromanylpyridin-3-yl)carbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(5-bromopyridine-3-carbonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(5-bromopyridine-3-carbonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-benzylsulfonyl-3-(5-bromonicotinoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C26H31BrN4O6S MolecularWeight: 607.51654

Click to see the large picture

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=CC(=CN=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H31BrN4O6S/c27-21-13-20(15-28-16-21)26(35)30-11-12-31(38(36,37)17-18-7-3-1-4-8-18)25(30)24(34)29-22(14-23(32)33)19-9-5-2-6-10-19/h1,3-4,7-8,13,15-16,19,22,25H,2,5-6,9-12,14,17H2,(H,29,34)(H,32,33)