N-[(4As,5R)-2-Benzyl-1,3-Dioxooctahydro-1H-Pyrido[1,2-C]Pyrimidin-5-Yl]-Nalpha-(Tert-Butoxycarbonyl)-L-Tryptophanamide

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Properties Simple | Detailed

Formula C31H37N5O5
IUPAC Name tert-butyl n-[(1s)-2-[[(4as,5r)-2-benzyl-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]amino]-1-(1h-indol-3-ylmethyl)-2-oxo-ethyl]carbamate
Molecular Mass 559.656 g·mol−1
Heat of Formation -774.9 ± 16.7 kJ·mol−1
Dipole Moment 4.98 ± 1.08 D
Volume 681.48 Å 3
Surface Area 549.17 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • iqm95333
  • n-[(1s)-2-[[(4as,5r)-1,3-dioxo-2-(phenylmethyl)-4,4a,5,6,7,8-hexahydropyrido[2,1-f]pyrimidin-5-yl]amino]-1-(1h-indol-3-ylmethyl)-2-oxoethyl]carbamic acid tert-butyl ester
  • n-[(1s)-2-[[(4as,5r)-2-(benzyl)-1,3-diketo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]amino]-1-(1h-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid tert-butyl ester
  • tert-butyl n-[(1s)-2-[[(4as,5r)-1,3-dioxo-2-(phenylmethyl)-4,4a,5,6,7,8-hexahydropyrido[2,1-f]pyrimidin-5-yl]amino]-1-(1h-indol-3-ylmethyl)-2-oxo-ethyl]carbamate
  • tert-butyl n-[(2s)-1-[[(4as,5r)-1,3-dioxo-2-(phenylmethyl)-4,4a,5,6,7,8-hexahydropyrido[2,1-f]pyrimidin-5-yl]amino]-3-(1h-indol-3-yl)-1-oxo-propan-2-yl]carbamate
  • tert-butyl n-[(2s)-1-[[(4as,5r)-1,3-dioxo-2-(phenylmethyl)-4,4a,5,6,7,8-hexahydropyrido[2,1-f]pyrimidin-5-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]carbamate
InChIKey JRSRZYFBWXHHNX-ZNZIZOMTSA-N
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