N-[[(3R)-5-[2-Amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-6,9-dihydro-6-oxo-1H-purin-8-yl]-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine

Analyte Name

N-(((3R)-5-(2-Amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-6,9-dihydro-6-oxo-1H-purin-8-yl)-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-L-phenylalanine

CAS Number

911431-82-8

Molecular Formula

C30H30N6O10

Molecular Weight

634.59

Accurate Mass

634.2

SMILES

O=C(C1=CC(C2=NC3=C(NC(N)=NC3=O)N2[C@@H]4O[C@H](CO)[C@@H](O)C4)=C(C[C@@H](C)O5)C(C5=O)=C1O)N[C@H](C(O)=O)CC6=CC=CC=C6

InChI

InChI=1S/C30H30N6O10/c1-12-7-14-15(24-33-22-25(34-30(31)35-27(22)41)36(24)20-10-18(38)19(11-37)46-20)9-16(23(39)21(14)29(44)45-12)26(40)32-17(28(42)43)8-13-5-3-2-4-6-13/h2-6,9,12,17-20,37-39H,7-8,10-11H2,1H3,(H,32,40)(H,42,43)(H3,31,34,35,41)/t12?,17-,18-,19+,20+/m0/s1

IUPAC

((R)-5-(2-amino-9-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-oxo-6,9-dihydro-3H-purin-8-yl)-8-hydroxy-3-methyl-1-oxoisochromane-7-carbonyl)-L-phenylalanine

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat