Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L1MES9
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| Ligand Name |
trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid
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| Synonyms |
trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid; FJG
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| Structure |
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Download2D MOL |
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| Formula |
C30H36F3N3O4S
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| Canonical SMILES |
CC(C(F)(F)F)NC(=O)C1=CC(=CC(=C1)C2=C(N=C(S2)C(=O)NC3CC(C3)C(=O)O)CC4CCCCC4)C5(CC5)C
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| InChI |
1S/C30H36F3N3O4S/c1-16(30(31,32)33)34-25(37)19-11-18(12-21(13-19)29(2)8-9-29)24-23(10-17-6-4-3-5-7-17)36-27(41-24)26(38)35-22-14-20(15-22)28(39)40/h11-13,16-17,20,22H,3-10,14-15H2,1-2H3,(H,34,37)(H,35,38)(H,39,40)/t16-,20?,22?/m1/s1
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| InChIKey |
PSFPATVFAWGHAJ-MIJUQJRQSA-N
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| PubChem Compound ID | ||||
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