[(5S)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-N-[6-[(4-methyl-2-oxidanylidene-3,4-dihydrochromen-7-yl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexyl]phosphonamidic acid

Systemtic Name: [(5S)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-N-[6-[(4-methyl-2-oxidanylidene-3,4-dihydrochromen-7-yl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexyl]phosphonamidic acid Openeye Name: [(5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-N-[5-(tert-butoxycarbonylamino)-6-[(4-methyl-2-oxo-chroman-7-yl)amino]-6-oxo-hexyl]phosphonamidic acid CAS Name: [(5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-N-[6-[(4-methyl-2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)amino]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexyl]phosphonamidic acid IUPAC Name: [(5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-N-[6-[(4-methyl-2-oxo-3,4-dihydrochromen-7-yl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]phosphonamidic acid Traditional Name: [(5S)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-N-[5-(tert-butoxycarbonylamino)-6-keto-6-[(2-keto-4-methyl-chroman-7-yl)amino]hexyl]phosphonamidic acid Formula: C31H43N8O11P MolecularWeight: 734.693881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCCNP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCCNP(=O)(O)OCC3C(C([C@H](O3)N4C=NC5=C4N=CN=C5N)O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H43N8O11P/c1-16-11-22(40)48-20-12-17(8-9-18(16)20)37-28(43)19(38-30(44)50-31(2,3)4)7-5-6-10-36-51(45,46)47-13-21-24(41)25(42)29(49-21)39-15-35-23-26(32)33-14-34-27(23)39/h8-9,12,14-16,19,21,24-25,29,41-42H,5-7,10-11,13H2,1-4H3,(H,37,43)(H,38,44)(H2,32,33,34)(H2,36,45,46)/t16?,19?,21?,24?,25?,29-/m0/s1