2-Methyl-2-Propanyl {(2S)-1-[(1R,2S,5S)-2-({(2S)-1-Cyclopropyl-4-[(2-{[(1S)-2-(Dimethylamino)-2-Oxo-1-Phenylethyl]Amino}-2-Oxoethyl)Amino]-3,4-Dioxo-2-Butanyl}Carbamoyl)-6,6-Dimethyl-3-Azabicyclo[3.1.0]Hex-3-Yl]-3,3-Dimethyl-1-Oxo-2-Butanyl}Carbamate

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Properties Simple | Detailed

Formula C38H56N6O8
IUPAC Name tert-butyl n-[(1s)-1-[(1s,4s,5r)-4-[[(1s)-1-(cyclopropylmethyl)-3-[[2-[[(1s)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-2,3-dioxo-propyl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2,2-dimethyl-propyl]carbamate
Molecular Mass 724.887 g·mol−1
Heat of Formation -1429.1 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 905.71 Å 3
Surface Area 685.14 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s)-1-[(1r,2s,5s)-2-[[(1s)-1-(cyclopropylmethyl)-3-[[2-[[(1s)-2-dimethylamino-2-keto-1-phenyl-ethyl]amino]-2-keto-ethyl]amino]-2,3-diketo-propyl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2,2-dimethyl-propyl]carbamic acid tert-butyl ester
  • n-[(1s)-1-[[(1r,2s,5s)-2-[[[(1s)-1-(cyclopropylmethyl)-3-[[2-[[(1s)-2-dimethylamino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]amino]-oxomethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-oxomethyl]-2,2-dimethylpropyl]carbamic acid tert-butyl ester
  • tert-butyl [(1s)-1-({(1r,2s,5s)-2-[(3s,10s)-3-(cyclopropylmethyl)-12-methyl-4,5,8,11-tetraoxo-10-phenyl-2,6,9,12-tetraazatridecan-1-oyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl}carbonyl)-2,2-dimethylpropyl]carbamate
  • tert-butyl n-[(1s)-1-[(1r,2s,5s)-2-[[(1s)-1-(cyclopropylmethyl)-3-[[2-[[(1s)-2-dimethylamino-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-2,3-dioxo-propyl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl]-2,2-dimethyl-propyl]carbamate
  • tert-butyl n-[(2s)-1-[(1r,2s,5s)-2-[[(2s)-1-cyclopropyl-4-[[2-[[(1s)-2-dimethylamino-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-3,4-dioxo-butan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
  • tert-butyl n-[(2s)-1-[(1r,2s,5s)-2-[[(2s)-1-cyclopropyl-4-[[2-[[(1s)-2-dimethylamino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
InChIKey WHFNHDUMWYGJDL-WYFABNACSA-N
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