Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LAR9O2
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| Ligand Name |
(2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
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| Synonyms |
(2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione; X5J
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| Structure |
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Download2D MOL
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| Formula |
C20H26N8O9P2S2
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| Canonical SMILES |
C1C(CC2C1COP(=S)(OC3C(C(COP(=O)(O2)S)OC3N4C=NC5=C4N=C(NC5=O)N)O)O)NC6=NC=NC=C6
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| InChI |
1S/C20H26N8O9P2S2/c21-20-26-17-14(18(30)27-20)24-8-28(17)19-16-15(29)12(35-19)6-34-38(31,40)36-11-4-10(25-13-1-2-22-7-23-13)3-9(11)5-33-39(32,41)37-16/h1-2,7-12,15-16,19,29H,3-6H2,(H,31,40)(H,32,41)(H,22,23,25)(H3,21,26,27,30)/t9-,10-,11+,12-,15-,16-,19-,38?,39?/m1/s1
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| InChIKey |
DXJHOSYLPZBMEZ-RQZVYQJZSA-N
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| PubChem Compound ID | ||||
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