[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] 5-oxidanylidene-5-[2-[2-[2-[2-[2-[5-[(4S)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoate; N,N-diethylethanamine

Systemtic Name: [[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] 5-oxidanylidene-5-[2-[2-[2-[2-[2-[5-[(4S)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoate; N,N-diethylethanamine Openeye Name: [[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] 5-oxo-5-[2-[2-[2-[2-[2-[5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoate; N,N-diethylethanamine CAS Name: N,N-diethylethanamine; 5-oxo-5-[2-[2-[2-[2-[2-[[1-oxo-5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid [[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] ester IUPAC Name: [[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] 5-oxo-5-[2-[2-[2-[2-[2-[5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoate; N,N-diethylethanamine Traditional Name: 5-keto-5-[2-[2-[2-[2-[2-[5-[(4S)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]valeric acid [[[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] ester; triethylamine Formula: C47H88N11O21P3S MolecularWeight: 1268.249003

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CCN(CC)CC.C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCNC(=O)CCCC(=O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)NC(=O)N2

Isomeric SMILES

CCN(CC)CC.CCN(CC)CC.C1C2C([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCNC(=O)CCCC(=O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)NC(=O)N2

InChI

InChI=1S/C35H58N9O21P3S.2C6H15N/c36-32-29-33(40-20-39-32)44(21-41-29)34-31(49)30(48)23(62-34)18-61-66(51,52)64-68(55,56)65-67(53,54)63-27(47)7-3-6-26(46)38-9-11-58-13-15-60-17-16-59-14-12-57-10-8-37-25(45)5-2-1-4-24-28-22(19-69-24)42-35(50)43-28;2*1-4-7(5-2)6-3/h20-24,28,30-31,34,48-49H,1-19H2,(H,37,45)(H,38,46)(H,51,52)(H,53,54)(H,55,56)(H2,36,39,40)(H2,42,43,50);2*4-6H2,1-3H3/t22?,23?,24-,28?,30?,31?,34?;;/m0../s1