Analyte Name

Bis N-Benzyloxycarbonyl-6-O-benzyl-valacyclovir

CAS Number

1356350-92-9

Molecular Formula

C57H64N12O12

Molecular Weight

1109.19

Accurate Mass

1108.4767

SMILES

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCCOCn2cnc3c(OCc4ccccc4)nc(NCNc5nc(OCc6ccccc6)c7ncn(COCCOC(=O)[C@@H](NC(=O)OCc8ccccc8)C(C)C)c7n5)nc23

InChI

InChI=1S/C57H64N12O12/c1-38(2)44(62-56(72)80-31-42-21-13-7-14-22-42)52(70)76-27-25-74-36-68-34-60-46-48(68)64-54(66-50(46)78-29-40-17-9-5-10-18-40)58-33-59-55-65-49-47(51(67-55)79-30-41-19-11-6-12-20-41)61-35-69(49)37-75-26-28-77-53(71)45(39(3)4)63-57(73)81-32-43-23-15-8-16-24-43/h5-24,34-35,38-39,44-45H,25-33,36-37H2,1-4H3,(H,62,72)(H,63,73)(H,58,64,66)(H,59,65,67)/t44-,45-/m0/s1

IUPAC

2-[[2-[[[9-[2-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxyethoxymethyl]-6-phenylmethoxypurin-2-yl]amino]methylamino]-6-phenylmethoxypurin-9-yl]methoxy]ethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat