2-Methyl-2-Propanyl {(1S)-1-Cyclohexyl-2-[(1R,3S,4S)-3-({(3S)-1-[(2-{[(1S)-2-(Dimethylamino)-2-Oxo-1-Phenylethyl]Amino}-2-Oxoethyl)Amino]-1,2-Dioxo-3-Heptanyl}Carbamoyl)-2-Azabicyclo[2.2.1]Hept-2-Yl]-2-Oxoethyl}Carbamate

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Properties Simple | Detailed

Formula C39H58N6O8
IUPAC Name tert-butyl n-[(1s)-1-cyclohexyl-2-[(1s,2s,4r)-2-[[(1s)-1-[2-[[2-[[(1s)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-acetyl]pentyl]carbamoyl]-3-azabicyclo[2.2.1]heptan-3-yl]-2-oxo-ethyl]carbamate
Molecular Mass 738.913 g·mol−1
Heat of Formation -1560.0 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 928.29 Å 3
Surface Area 698.41 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1-dimethylethyl [1-cyclohexyl-2-[3-[[[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]pentyl]amino]carbonyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]carbamate
  • n-[(1s)-1-cyclohexyl-2-[(1s,4r,6s)-6-[[(1s)-1-[2-[[2-[[(1s)-2-dimethylamino-2-keto-1-phenyl-ethyl]amino]-2-keto-ethyl]amino]-2-keto-acetyl]pentyl]carbamoyl]-5-azabicyclo[2.2.1]heptan-5-yl]-2-keto-ethyl]carbamic acid tert-butyl ester
  • n-[(1s)-1-cyclohexyl-2-[(1s,4r,6s)-6-[[[(1s)-1-[2-[[2-[[(1s)-2-dimethylamino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoethyl]pentyl]amino]-oxomethyl]-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]carbamic acid tert-butyl ester
  • tert-butyl n-[(1s)-1-cyclohexyl-2-[(1s,4r,6s)-6-[[(1s)-1-[2-[[2-[[(1s)-2-dimethylamino-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-acetyl]pentyl]carbamoyl]-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxo-ethyl]carbamate
  • tert-butyl n-[(1s)-1-cyclohexyl-2-[(1s,4r,6s)-6-[[(3s)-1-[[2-[[(1s)-2-dimethylamino-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-1,2-dioxo-heptan-3-yl]carbamoyl]-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxo-ethyl]carbamate
  • tert-butyl n-[(1s)-1-cyclohexyl-2-[(1s,4r,6s)-6-[[(3s)-1-[[2-[[(1s)-2-dimethylamino-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxoheptan-3-yl]carbamoyl]-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]carbamate
InChIKey YGRWTFVDMXHDOB-KTARVVEZSA-N
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