[[5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [4-[[3-[2-[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-tetradecan-2-yl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate; sodium

Systemtic Name: [[5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [4-[[3-[2-[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-tetradecan-2-yl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate; sodium Openeye Name: [[4-[[3-[2-[1-[(2-amino-2-oxo-ethyl)carbamoyl]tridecylsulfanyl]ethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-hydroxy-phosphoryl] [5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate; sodium CAS Name: [[4-[[3-[2-[[1-[(2-amino-2-oxoethyl)amino]-1-oxotetradecan-2-yl]thio]ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl] [5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methyl hydrogen phosphate; sodium IUPAC Name: [[4-[[3-[2-[1-[(2-amino-2-oxoethyl)amino]-1-oxotetradecan-2-yl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl] [5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate; sodium Traditional Name: [(5-adenin-9-yl-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl] [4-[[3-[2-[1-[(2-amino-2-keto-ethyl)carbamoyl]tridecylthio]ethylamino]-3-keto-propyl]amino]-3-hydroxy-4-keto-2,2-dimethyl-butyl] hydrogen phosphate; sodium Formula: C37H66N9NaO18P3S MolecularWeight: 1072.945493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)NCC(=O)N)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O.[Na]

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)NCC(=O)N)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O.[Na]

InChI

InChI=1S/C37H66N9O18P3S.Na/c1-4-5-6-7-8-9-10-11-12-13-14-25(34(51)42-19-26(38)47)68-18-17-40-27(48)15-16-41-35(52)31(50)37(2,3)21-61-67(58,59)64-66(56,57)60-20-24-30(63-65(53,54)55)29(49)36(62-24)46-23-45-28-32(39)43-22-44-33(28)46;/h22-25,29-31,36,49-50H,4-21H2,1-3H3,(H2,38,47)(H,40,48)(H,41,52)(H,42,51)(H,56,57)(H,58,59)(H2,39,43,44)(H2,53,54,55);