Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LEA9B3
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| Ligand Name |
1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea
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| Synonyms |
1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea; MXH
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| Structure |
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Download2D MOL |
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| Formula |
C33H41FN6O5S
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| Canonical SMILES |
CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)C(CC2=CC(=CC=C2)C(=N)N)NS(=O)(=O)C3=CC=CC(=C3)C4=CC(=C(C=C4)CO)F
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| InChI |
1S/C33H41FN6O5S/c1-33(2,3)38-32(43)37-26-12-14-40(15-13-26)31(42)29(17-21-6-4-8-24(16-21)30(35)36)39-46(44,45)27-9-5-7-22(18-27)23-10-11-25(20-41)28(34)19-23/h4-11,16,18-19,26,29,39,41H,12-15,17,20H2,1-3H3,(H3,35,36)(H2,37,38,43)/t29-/m0/s1
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| InChIKey |
FQLCVDCDDCIBQS-LJAQVGFWSA-N
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| PubChem Compound ID | ||||
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