Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L40XSM
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| Ligand Name |
(2S,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-hydroxyphenyl)ethyl]hexanamide
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| Synonyms |
(2S,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-hydroxyphenyl)ethyl]hexanamide; (S)-SKI-72
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| Structure |
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Download2D MOL |
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| Formula |
C31H40N8O5
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| Canonical SMILES |
C1=CC=C(C=C1)CNCC(CCC(C(=O)NCCC2=CC=C(C=C2)O)N)CC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O
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| InChI |
1S/C31H40N8O5/c32-23(30(43)35-13-12-19-6-9-22(40)10-7-19)11-8-21(16-34-15-20-4-2-1-3-5-20)14-24-26(41)27(42)31(44-24)39-18-38-25-28(33)36-17-37-29(25)39/h1-7,9-10,17-18,21,23-24,26-27,31,34,40-42H,8,11-16,32H2,(H,35,43)(H2,33,36,37)/t21-,23-,24+,26+,27+,31+/m0/s1
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| InChIKey |
BSSHHGWCSNARRG-FRWVVBMCSA-N
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| PubChem Compound ID | ||||
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