Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LJ82GA
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| Ligand Name |
(11s)-10-[(2,5-Dimethyl-1,3-Oxazol-4-Yl)carbonyl]-11-{2-Fluoro-4-[(2-Methylprop-2-En-1-Yl)oxy]phenyl}-3,3-Dimethyl-2,3,4,5,10,11-Hexahydrothiopyrano[3,2-B][1,5]benzodiazepin-6-Ol 1,1-Dioxide
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| Synonyms |
(11s)-10-[(2,5-Dimethyl-1,3-Oxazol-4-Yl)carbonyl]-11-{2-Fluoro-4-[(2-Methylprop-2-En-1-Yl)oxy]phenyl}-3,3-Dimethyl-2,3,4,5,10,11-Hexahydrothiopyrano[3,2-B][1,5]benzodiazepin-6-Ol 1,1-Dioxide; 3hkw; 3hky; Q27461582; (2,5-dimethyloxazol-4-yl)-[(5S,6S)-5-[2-fluoro-4-(2-methylallyloxy)phenyl]-10-hydroxy-2,2-dimethyl-4,4-dioxo-1,3,5,11-tetrahydrothiopyrano[2,3-c][1,5]benzodiazepin-6-yl]methanone
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| Structure |
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Download2D MOL |
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| Formula |
C30H32FN3O6S
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| Canonical SMILES |
CC1=C(N=C(O1)C)C(=O)N2C(C3=C(CC(CS3(=O)=O)(C)C)NC4=C2C=CC=C4O)C5=C(C=C(C=C5)OCC(=C)C)F
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| InChI |
1S/C30H32FN3O6S/c1-16(2)14-39-19-10-11-20(21(31)12-19)27-28-22(13-30(5,6)15-41(28,37)38)33-26-23(8-7-9-24(26)35)34(27)29(36)25-17(3)40-18(4)32-25/h7-12,27,33,35H,1,13-15H2,2-6H3/t27-/m0/s1
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| InChIKey |
NNKOFEVRZHVHLU-MHZLTWQESA-N
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| PubChem Compound ID | ||||
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