Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LDS39J
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| Ligand Name |
(2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name)
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| Synonyms |
(2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name); (R)-SKI-72; HDG
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| Structure |
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Download2D MOL
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| Formula |
C32H42N8O5
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| Canonical SMILES |
COC1=CC=C(C=C1)CCNC(=O)C(CCC(CC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)CNCC5=CC=CC=C5)N
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| InChI |
1S/C32H42N8O5/c1-44-23-10-7-20(8-11-23)13-14-36-31(43)24(33)12-9-22(17-35-16-21-5-3-2-4-6-21)15-25-27(41)28(42)32(45-25)40-19-39-26-29(34)37-18-38-30(26)40/h2-8,10-11,18-19,22,24-25,27-28,32,35,41-42H,9,12-17,33H2,1H3,(H,36,43)(H2,34,37,38)/t22-,24+,25+,27+,28+,32+/m0/s1
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| InChIKey |
ZLHYSNFCYFOANJ-DVTMEHRLSA-N
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| PubChem Compound ID | ||||
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