[[5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-propan-2-ylsulfanylethylamino)propyl]amino]butyl] hydrogen phosphate

Systemtic Name: [[5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-propan-2-ylsulfanylethylamino)propyl]amino]butyl] hydrogen phosphate Openeye Name: [[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [3-hydroxy-4-[[3-(2-isopropylsulfanylethylamino)-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butyl] hydrogen phosphate CAS Name: [[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(propan-2-ylthio)ethylamino]propyl]amino]butyl] hydrogen phosphate IUPAC Name: [[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-propan-2-ylsulfanylethylamino)propyl]amino]butyl] hydrogen phosphate Traditional Name: [(5-adenin-9-yl-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl] [3-hydroxy-4-[[3-[2-(isopropylthio)ethylamino]-3-keto-propyl]amino]-4-keto-2,2-dimethyl-butyl] hydrogen phosphate Formula: C24H42N7O16P3S MolecularWeight: 809.613863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)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

Isomeric SMILES

CC(C)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

InChI

InChI=1S/C24H42N7O16P3S/c1-13(2)51-8-7-26-15(32)5-6-27-22(35)19(34)24(3,4)10-44-50(41,42)47-49(39,40)43-9-14-18(46-48(36,37)38)17(33)23(45-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-14,17-19,23,33-34H,5-10H2,1-4H3,(H,26,32)(H,27,35)(H,39,40)(H,41,42)(H2,25,28,29)(H2,36,37,38)