[[(2~{R},3~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[(3~{S})-3-[2-[(1~{S})-1-[[(1~{S},2~{R},3~{R},4~{S},5~{R})-5-azanyl-3-[(4~{S},5~{R})-4-[(2~{S},3~{R},4~{R},5~{S},6~{E})-3-azanyl-6-(azanylmethylidene)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]oxy-2-[(2~{S},3~{R},4~{R},5~{S})-3-azanyl-6-(iminomethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-cyclohexyl]amino]-1-oxidanyl-ethyl]sulfanylethylamino]-3-oxidanyl-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate

Compound Identifiers & Properties

PubChem CID

165416271

SMILES

C[C@](N[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@@H](C(O2)CN)O)O)N)OC3=C([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H](C(O4)CN)O)O)N)O)O)N)(O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H](C(=C(O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O)O)O

Canonical SMILES

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1OC(n2cnc3c(N)ncnc32)=C(O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS[C@](C)(O)N[C@H]1C[C@@H](N)[C@H](O)[C@@H](OC2=C(O)[C@H](O[C@H]3OC(CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H](CO)O2)[C@@H]1O[C@H]1OC(CN)[C@@H](O)[C@H](O)[C@H]1N