Nalpha-[(2S)-2-Benzyl-3-(Tert-Butylsulfonyl)Propanoyl]-N-[(2S,3R,4S)-1-Cyclohexyl-4-Cyclopropyl-3,4-Dihydroxybutan-2-Yl]-L-Histidinamide

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Properties Simple | Detailed

Formula C33H50N4O6S
IUPAC Name (2s)-2-benzyl-3-tert-butylsulfonyl-n-[(1s)-2-[[(1s,2r,3s)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxy-propyl]amino]-1-(4h-imidazol-1-ium-4-ylium-5-ylmethyl)-2-oxo-ethyl]propanamide
Molecular Mass 630.838 g·mol−1
Heat of Formation -1106.5 ± 16.7 kJ·mol−1
Dipole Moment 6.55 ± 1.08 D
Volume 808.27 Å 3
Surface Area 571.66 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(benzyl)-3-tert-butylsulfonyl-n-[(1s)-2-[[(1s,2r,3s)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxy-propyl]amino]-1-(3h-imidazol-4-ylmethyl)-2-keto-ethyl]propionamide
  • (2s)-2-(tert-butylsulfonylmethyl)-n-[(1s)-2-[[(1s,2r,3s)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxy-propyl]amino]-1-(3h-imidazol-4-ylmethyl)-2-oxo-ethyl]-3-phenyl-propanamide
  • (2s)-2-(tert-butylsulfonylmethyl)-n-[(1s)-2-[[(1s,2r,3s)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]amino]-1-(3h-imidazol-4-ylmethyl)-2-oxoethyl]-3-phenylpropanamide
  • (2s)-2-(tert-butylsulfonylmethyl)-n-[(2s)-1-[[(2s,3r,4s)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxy-butan-2-yl]amino]-3-(3h-imidazol-4-yl)-1-oxo-propan-2-yl]-3-phenyl-propanamide
  • (2s)-2-(tert-butylsulfonylmethyl)-n-[(2s)-1-[[(2s,3r,4s)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-3-(3h-imidazol-4-yl)-1-oxopropan-2-yl]-3-phenylpropanamide
InChIKey UXIGZRQVLGFTOU-VQXQMPIVSA-N
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