(phenylmethyl) N-[5-[3-[5-[[9-[(2R,4R,5R)-3,4-bis(oxidanyl)-5-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]pentanoyl-methyl-amino]propyl-methyl-amino]-5-oxidanylidene-pentyl]carbamate

Systemtic Name: (phenylmethyl) N-[5-[3-[5-[[9-[(2R,4R,5R)-3,4-bis(oxidanyl)-5-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]pentanoyl-methyl-amino]propyl-methyl-amino]-5-oxidanylidene-pentyl]carbamate Openeye Name: benzyl N-[5-[3-[5-[[9-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-2-yl]purin-6-yl]amino]pentanoyl-methyl-amino]propyl-methyl-amino]-5-oxo-pentyl]carbamate CAS Name: N-[5-[3-[[5-[[9-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-2-oxolanyl]-6-purinyl]amino]-1-oxopentyl]-methylamino]propyl-methylamino]-5-oxopentyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-[3-[5-[[9-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]pentanoyl-methylamino]propyl-methylamino]-5-oxopentyl]carbamate Traditional Name: N-[5-[3-[5-[[9-[(2R,4R,5R)-3,4-dihydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-2-yl]purin-6-yl]amino]pentanoyl-methyl-amino]propyl-methyl-amino]-5-keto-pentyl]carbamic acid benzyl ester Formula: C33H50N8O14P2 MolecularWeight: 844.742822

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN(C)C(=O)CCCCNC(=O)OCC1=CC=CC=C1)C(=O)CCCCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)COP(=O)(O)OP(=O)(O)O)O)O

Isomeric SMILES

CN(CCCN(C)C(=O)CCCCNC(=O)OCC1=CC=CC=C1)C(=O)CCCCNC2=NC=NC3=C2N=CN3[C@H]4C([C@H]([C@H](O4)COP(=O)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C33H50N8O14P2/c1-39(17-10-18-40(2)26(43)14-7-9-16-35-33(46)52-19-23-11-4-3-5-12-23)25(42)13-6-8-15-34-30-27-31(37-21-36-30)41(22-38-27)32-29(45)28(44)24(54-32)20-53-57(50,51)55-56(47,48)49/h3-5,11-12,21-22,24,28-29,32,44-45H,6-10,13-20H2,1-2H3,(H,35,46)(H,50,51)(H,34,36,37)(H2,47,48,49)/t24-,28+,29?,32-/m1/s1