Saquinavir monomethanesulfonate salt

PubChem Notes:

Saquinavir An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases.

Molecular Formula: C39H54N6O8S


InChI: InChI=1/C38H50N6O5.CH4O3S/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29;1-5(2,3)4/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49);1H3,(H,2,3,4)/t26-,27+,30-,31-,32-,33+;/m0./s1/f/h41-43H,39H2;2H

InChIKey: InChIKey=IRHXGOXEBNJUSN-LGSPUCEEDU
SMILES: CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O.CS(=O)(=O)O

Names:
    DRG-0164
    Fortovase
    Invirase
    Ro 31-8959/003
    Saquinavir mesylate [USAN]
    Saquinavir mesylate; Ro 31-8959 [AmFAR Tx Dir 1993;6(4)]
    Saquinavir mesylate
    Saquinavir monomethanesulfonate salt
    (S)-N-((alphaS)-alpha-((1R)-2-((3S,4aS,8aS)-3-(tert-Butylcarbamoyl)octahydro-2(1H)-isoquinolyl)-1-hydroxyethyl)phenethyl)-2-quinaldamidosuccinamide monomethanesulfonate (salt)
    (2S)-N-[(2S,3R)-4-[(3S,4aS,8aR)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenyl-butan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide; methanesulfonic acid
    149845-06-7

Registries:
    PubChem CID 60934
    PubChem ID 197159