Emricasan

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Properties Simple | Detailed

Formula C26H27F4N3O7
IUPAC Name (3s)-3-[[(2s)-2-[[2-(2-tert-butylanilino)-2-oxo-acetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
Molecular Mass 569.502 g·mol−1
Heat of Formation -1803.5 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 643.24 Å 3
Surface Area 513.31 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[[(2s)-2-[[2-[(2-tert-butylphenyl)amino]-1,2-dioxoethyl]amino]-1-oxopropyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
  • (3s)-3-[[(2s)-2-[[2-[(2-tert-butylphenyl)amino]-2-keto-acetyl]amino]propanoyl]amino]-4-keto-5-(2,3,5,6-tetrafluorophenoxy)valeric acid
  • (3s)-3-[[(2s)-2-[[2-[(2-tert-butylphenyl)amino]-2-oxo-acetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
  • (3s)-3-[[(2s)-2-[[2-[(2-tert-butylphenyl)amino]-2-oxo-ethanoyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
  • (3s)-3-[[(2s)-2-[[2-[(2-tert-butylphenyl)amino]-2-oxoacetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
InChIKey SCVHJVCATBPIHN-SJCJKPOMSA-N
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