Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LBS54D
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| Ligand Name |
(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid
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| Synonyms |
(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid; KXW
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| Structure |
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Download2D MOL |
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| Formula |
C22H31N9O5
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| Canonical SMILES |
C1=CC=NC(=C1)NCCCN(CCC(C(=O)O)N)CC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O
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| InChI |
1S/C22H31N9O5/c23-13(22(34)35)5-9-30(8-3-7-26-15-4-1-2-6-25-15)10-14-17(32)18(33)21(36-14)31-12-29-16-19(24)27-11-28-20(16)31/h1-2,4,6,11-14,17-18,21,32-33H,3,5,7-10,23H2,(H,25,26)(H,34,35)(H2,24,27,28)/t13-,14+,17+,18+,21+/m0/s1
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| InChIKey |
BVWHRNNLXISVCS-YWYKXHLWSA-N
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| PubChem Compound ID | ||||
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