Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LEAD94
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| Ligand Name |
[(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-Aminopurin-9-Yl)-3,4-Bis(Oxidanyl)oxolan-2-Yl]-5-Azaniumyl-6-Oxidanyl-6-Oxidanylidene-Hexan-2-Yl]-(2-Methylpropyl)azanium
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| Synonyms |
[(2~{s},5~{r})-1-[(2~{r},3~{s},4~{r},5~{r})-5-(6-Aminopurin-9-Yl)-3,4-Bis(Oxidanyl)oxolan-2-Yl]-5-Azaniumyl-6-Oxidanyl-6-Oxidanylidene-Hexan-2-Yl]-(2-Methylpropyl)azanium; 76M
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| Structure |
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Download2D MOL |
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| Formula |
C19H33N7O5+2
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| Canonical SMILES |
CC(C)C[NH2+]C(CCC(C(=O)O)[NH3+])CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
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| InChI |
1S/C19H31N7O5/c1-9(2)6-22-10(3-4-11(20)19(29)30)5-12-14(27)15(28)18(31-12)26-8-25-13-16(21)23-7-24-17(13)26/h7-12,14-15,18,22,27-28H,3-6,20H2,1-2H3,(H,29,30)(H2,21,23,24)/p+2/t10-,11+,12+,14+,15+,18+/m0/s1
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| InChIKey |
JFKLCPCUECHESR-SNDYUSLUSA-P
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| PubChem Compound ID | ||||
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