N-[(1-Fluorocyclopropyl)carbonyl]-3-Methyl-L-Valyl-(4r)-4-Hydroxy-N-[4-(4-Methyl-1,3-Thiazol-5-Yl)benzyl]-L-Prolinamide - CAS 2135318-53-3

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Molecular Formula

C26H33FN4O4S

Molecular Weight

516.63

N-[(1-Fluorocyclopropyl)carbonyl]-3-Methyl-L-Valyl-(4r)-4-Hydroxy-N-[4-(4-Methyl-1,3-Thiazol-5-Yl)benzyl]-L-Prolinamide

- Specification
  - IUPAC Name
    
    (2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
- Properties
  - Boiling Point
    
    797.9±60.0 °C at 760 mmHg
    
    Density
    
    1.33±0.1 g/cm3
    
    InChI Key
    
    GFNCBUDQFXZVNN-SVFBPWRDSA-N
    
    InChI
    
    InChI=1S/C26H33FN4O4S/c1-15-20(36-14-29-15)17-7-5-16(6-8-17)12-28-22(33)19-11-18(32)13-31(19)23(34)21(25(2,3)4)30-24(35)26(27)9-10-26/h5-8,14,18-19,21,32H,9-13H2,1-4H3,(H,28,33)(H,30,35)/t18-,19+,21-/m1/s1
    
    Canonical SMILES
    
    CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4(CC4)F)O

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