Analyte Name

2-((((((S)-1-(2-Ethylbutoxy)-1-oxopropan-2-yl)amino)(phenoxy)phosphoryl)oxy)methyl)-4-hydroxy Remdesivir

Molecular Formula

C42 H57 N7 O12 P2

Molecular Weight

913.889

Accurate Mass

913.354

SMILES

CCC(CC)COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O[P@@](=O)(N[C@@H](C)C(=O)OCC(CC)CC)Oc2ccccc2)c3ccc4c(N)ncnn34)Oc5ccccc5

InChI

InChI=1S/C42H57N7O12P2/c1-7-30(8-2)23-55-40(51)28(5)47-62(53,59-32-17-13-11-14-18-32)57-25-35-37(38(50)42(26-43,58-35)36-22-21-34-39(44)45-27-46-49(34)36)61-63(54,60-33-19-15-12-16-20-33)48-29(6)41(52)56-24-31(9-3)10-4/h11-22,27-31,35,37-38,50H,7-10,23-25H2,1-6H3,(H,47,53)(H,48,54)(H2,44,45,46)/t28-,29-,35+,37+,38+,42-,62?,63+/m0/s1

IUPAC

2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3-[[[(2S)-1-(2-ethylbutoxy)-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat