Nalpha-[(2S)-2-Benzyl-3-(Tert-Butylsulfonyl)Propanoyl]-N-[(2S,3S,5S)-5-(Butylcarbamoyl)-1-Cyclohexyl-3-Hydroxy-6-Methylheptan-2-Yl]-L-Histidinamide

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Properties Simple | Detailed

Formula C39H63N5O6S
IUPAC Name (2s,4s,5s)-5-[[(2s)-2-[[(2s)-2-benzyl-3-(1,1-dimethylethylsulfonyl)propanoyl]amino]-3-(1h-imidazol-5-yl)propanoyl]amino]-n-butyl-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanamide
Molecular Mass 730.012 g·mol−1
Heat of Formation -1304.9 ± 16.7 kJ·mol−1
Dipole Moment 10.31 ± 1.08 D
Volume 950.29 Å 3
Surface Area 726.62 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,5s)-5-[[(2s)-2-[[(2s)-2-(benzyl)-3-tert-butylsulfonyl-propanoyl]amino]-3-(3h-imidazol-4-yl)propanoyl]amino]-n-butyl-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanamide
  • (2s,4s,5s)-n-butyl-5-[[(2s)-2-[[(2s)-2-(tert-butylsulfonylmethyl)-1-oxo-3-phenylpropyl]amino]-3-(3h-imidazol-4-yl)-1-oxopropyl]amino]-6-cyclohexyl-4-hydroxy-2-isopropylhexanamide
  • (2s,4s,5s)-n-butyl-5-[[(2s)-2-[[(2s)-2-(tert-butylsulfonylmethyl)-3-phenyl-propanoyl]amino]-3-(3h-imidazol-4-yl)propanoyl]amino]-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanamide
  • (2s,4s,5s)-n-butyl-5-[[(2s)-2-[[(2s)-2-(tert-butylsulfonylmethyl)-3-phenyl-propanoyl]amino]-3-(3h-imidazol-4-yl)propanoyl]amino]-6-cyclohexyl-4-hydroxy-2-propan-2-yl-hexanamide
  • (2s,4s,5s)-n-butyl-5-[[(2s)-2-[[(2s)-2-(tert-butylsulfonylmethyl)-3-phenylpropanoyl]amino]-3-(3h-imidazol-4-yl)propanoyl]amino]-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide
InChIKey GGKXIITZBSPCQP-IZIWAXSGSA-N
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