Remikiren

Molecular Formula: C33H50N4O6S


InChI: InChI=1/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28-,29+,30-/m0/s1/f/h35-37H

InChIKey: InChIKey=UXIGZRQVLGFTOU-DHJHTXEFDM
SMILES: CC(C)(C)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)NC(CC3CCCCC3)C(C(C4CC4)O)O

Names:
    CCRIS 6519
    Remikiren [INN]
    Remikiren
    Ro 42-5892
    (alphaS)-alpha-((alphaS)-alpha-((tert-Butylsulfonyl)methyl)hydrocinnamamido)-N-((1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl)imidazole-4-propionamide
    (2S)-2-benzyl-N-[(1S)-1-[[(2R,3S,4R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxy-butan-2-yl]carbamoyl]-2-(3H-imidazol-4-yl)ethyl]-3-tert-butylsulfonyl-propanamide
    1H-Imidazole-4-propanamide, N-(1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl)-alpha-((2-(((1,1-dimethylethyl)sulfonyl)methyl)-1-oxo-3-phenylpropyl)amino)-, (1S-(1R*(R*(R*)),2S*,3R*))-
    126222-34-2
    135669-48-6

Registries:
    PubChem CID 5462340
    PubChem ID 206856