8Q2
[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(4-prop-2-ynoxyphenyl)propanoyl]sulfamate
Find entries where: 8Q2
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(4-prop-2-ynoxyphenyl)propanoyl]sulfamate |
Identifiers | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(4-prop-2-ynoxyphenyl)propanoyl]sulfamate |
Formula | C22 H25 N7 O8 S |
Molecular Weight | 547.541 |
Type | NON-POLYMER |
Isomeric SMILES | C#CCOc1ccc(cc1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N |
InChI | InChI=1S/C22H25N7O8S/c1-2-7-35-13-5-3-12(4-6-13)14(23)8-16(30)28-38(33,34)36-9-15-18(31)19(32)22(37-15)29-11-27-17-20(24)25-10-26-21(17)29/h1,3-6,10-11,14-15,18-19,22,31-32H,7-9,23H2,(H,28,30)(H2,24,25,26)/t14-,15+,18+,19+,22+/m0/s1 |
InChIKey | SOQSTTVKSPLYCJ-KSHOWADASA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 63 |
Chiral Atom Count | 5 |
Bond Count | 66 |
Aromatic Bond Count | 16 |
Related Resource References
Resource Name | Reference |
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PubChem | 131842053 |