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

Systemtic Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-(2,4-dimethylphenyl)-1H-imidazol-4-yl]carbonylamino]benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol Openeye Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-(2,4-dimethylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol CAS Name: 3-[[[5-[2-(1-adamantyl)ethyl]-2-(2,4-dimethylphenyl)-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol IUPAC Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-(2,4-dimethylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol Traditional Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-(2,4-dimethylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol Formula: C38H52N4O8 MolecularWeight: 692.84148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O)C.CNCC(C(C(C(CO)O)O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O)C.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

InChI

InChI=1S/C31H35N3O3.C7H17NO5/c1-18-6-7-25(19(2)10-18)28-33-26(8-9-31-15-20-11-21(16-31)13-22(12-20)17-31)27(34-28)29(35)32-24-5-3-4-23(14-24)30(36)37;1-8-2-4(10)6(12)7(13)5(11)3-9/h3-7,10,14,20-22H,8-9,11-13,15-17H2,1-2H3,(H,32,35)(H,33,34)(H,36,37);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1