Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L0FT9Y
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| Ligand Name |
(2R)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate
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| Synonyms |
(2R)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate; I0Q
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| Structure |
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Download2D MOL |
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| Formula |
C33H43Cl2N7O4+2
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| Canonical SMILES |
CC(CC[NH+]1CCN(CC1)C2=NC=C(C=N2)OC3=CC(=CC(=N3)C4=CC(=CC(=C4)Cl)Cl)C[NH+]5CCC(CC5)CNC(=O)C)C(=O)O
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| InChI |
1S/C33H41Cl2N7O4/c1-22(32(44)45)3-6-40-9-11-42(12-10-40)33-37-19-29(20-38-33)46-31-14-25(13-30(39-31)26-15-27(34)17-28(35)16-26)21-41-7-4-24(5-8-41)18-36-23(2)43/h13-17,19-20,22,24H,3-12,18,21H2,1-2H3,(H,36,43)(H,44,45)/p+2/t22-/m1/s1
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| InChIKey |
GOXVJENOKGAJKU-JOCHJYFZSA-P
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| PubChem Compound ID | ||||
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