N-[(Benzyloxy)Carbonyl]-O-(2-Methyl-2-Propanyl)-L-Threonyl-3-Cyclohexyl-N-{(2S)-1-Hydroxy-3-[(3S)-2-Oxo-3-Pyrrolidinyl]-2-Propanyl}-L-Alaninamide

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Properties Simple | Detailed

Formula C32H50N4O7
IUPAC Name benzyl n-[(1s,2r)-2-tert-butoxy-1-[[(1s)-1-(cyclohexylmethyl)-2-[[(1s)-1-(hydroxymethyl)-2-[(3s)-2-oxopyrrolidin-3-yl]ethyl]amino]-2-oxo-ethyl]carbamoyl]propyl]carbamate
Molecular Mass 602.762 g·mol−1
Heat of Formation -1486.5 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 767.1 Å 3
Surface Area 568.92 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 3.24 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s,2r)-2-tert-butoxy-1-[[(1s)-1-(cyclohexylmethyl)-2-[[(1s)-2-hydroxy-1-[[(3s)-2-ketopyrrolidin-3-yl]methyl]ethyl]amino]-2-keto-ethyl]carbamoyl]propyl]carbamic acid benzyl ester
  • n-[(1s,2r)-2-tert-butoxy-1-[[[(1s)-1-(cyclohexylmethyl)-2-[[(1s)-1-(hydroxymethyl)-2-[(3s)-2-oxo-3-pyrrolidinyl]ethyl]amino]-2-oxoethyl]amino]-oxomethyl]propyl]carbamic acid phenylmethyl ester
  • phenylmethyl n-[(1s,2r)-2-tert-butoxy-1-[[(1s)-1-(cyclohexylmethyl)-2-[[(1s)-1-(hydroxymethyl)-2-[(3s)-2-oxopyrrolidin-3-yl]ethyl]amino]-2-oxo-ethyl]carbamoyl]propyl]carbamate
  • phenylmethyl n-[(2s,3r)-1-[[(2s)-3-cyclohexyl-1-[[(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-oxo-propan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxo-butan-2-yl]carbamate
  • phenylmethyl n-[(2s,3r)-1-[[(2s)-3-cyclohexyl-1-[[(2s)-1-hydroxy-3-[(3s)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate
InChIKey YIWYOEOSWRXENJ-FFXRMZKPSA-N
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