5-[[5-[2-(1-adamantyl)ethyl]-2-(2-methylphenyl)-1H-imidazol-4-yl]carbonylamino]-2-fluoranyl-benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

Systemtic Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-(2-methylphenyl)-1H-imidazol-4-yl]carbonylamino]-2-fluoranyl-benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol Openeye Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-(o-tolyl)-1H-imidazole-4-carbonyl]amino]-2-fluoro-benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol CAS Name: 5-[[[5-[2-(1-adamantyl)ethyl]-2-(2-methylphenyl)-1H-imidazol-4-yl]-oxomethyl]amino]-2-fluorobenzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol IUPAC Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-(2-methylphenyl)-1H-imidazole-4-carbonyl]amino]-2-fluorobenzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol Traditional Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-(o-tolyl)-1H-imidazole-4-carbonyl]amino]-2-fluoro-benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol Formula: C37H49FN4O8 MolecularWeight: 696.805363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC(=C(C=C6)F)C(=O)O.CNCC(C(C(C(CO)O)O)O)O

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC(=C(C=C6)F)C(=O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

InChI

InChI=1S/C30H32FN3O3.C7H17NO5/c1-17-4-2-3-5-22(17)27-33-25(8-9-30-14-18-10-19(15-30)12-20(11-18)16-30)26(34-27)28(35)32-21-6-7-24(31)23(13-21)29(36)37;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-7,13,18-20H,8-12,14-16H2,1H3,(H,32,35)(H,33,34)(H,36,37);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1