(phenylmethyl) N-[4-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxysulfonylcarbamoyl]-3-oxidanyl-phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[4-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxysulfonylcarbamoyl]-3-oxidanyl-phenyl]carbamate Openeye Name: benzyl N-[4-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxysulfonylcarbamoyl]-3-hydroxy-phenyl]carbamate CAS Name: N-[4-[[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxysulfonylamino]-oxomethyl]-3-hydroxyphenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxysulfonylcarbamoyl]-3-hydroxyphenyl]carbamate Traditional Name: N-[4-[[(3aR,4R,6R,6aR)-4-adenin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxysulfonylcarbamoyl]-3-hydroxy-phenyl]carbamic acid benzyl ester Formula: C28H29N7O10S MolecularWeight: 655.63576

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C2O1)N3C=NC4=C3N=CN=C4N)COS(=O)(=O)NC(=O)C5=C(C=C(C=C5)NC(=O)OCC6=CC=CC=C6)O)C

Isomeric SMILES

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C3N=CN=C4N)COS(=O)(=O)NC(=O)C5=C(C=C(C=C5)NC(=O)OCC6=CC=CC=C6)O)C

InChI

InChI=1S/C28H29N7O10S/c1-28(2)44-21-19(43-26(22(21)45-28)35-14-32-20-23(29)30-13-31-24(20)35)12-42-46(39,40)34-25(37)17-9-8-16(10-18(17)36)33-27(38)41-11-15-6-4-3-5-7-15/h3-10,13-14,19,21-22,26,36H,11-12H2,1-2H3,(H,33,38)(H,34,37)(H2,29,30,31)/t19-,21-,22-,26-/m1/s1