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

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Properties Simple | Detailed

Formula C31H38N6O4
IUPAC Name (2s)-n-[(4as,5r)-2-benzyl-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]-2-(tert-butylcarbamoylamino)-3-(1h-indol-3-yl)propanamide
Molecular Mass 558.671 g·mol−1
Heat of Formation -584.8 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 686.11 Å 3
Surface Area 551.43 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(4as,5r)-1,3-dioxo-2-(phenylmethyl)-4,4a,5,6,7,8-hexahydropyrido[2,1-f]pyrimidin-5-yl]-2-(tert-butylcarbamoylamino)-3-(1h-indol-3-yl)propanamide
  • (2s)-n-[(4as,5r)-1,3-dioxo-2-(phenylmethyl)-4,4a,5,6,7,8-hexahydropyrido[2,1-f]pyrimidin-5-yl]-2-[[(tert-butylamino)-oxomethyl]amino]-3-(1h-indol-3-yl)propanamide
  • (2s)-n-[(4as,5r)-2-(benzyl)-1,3-diketo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]-2-(tert-butylcarbamoylamino)-3-(1h-indol-3-yl)propionamide
InChIKey JQMXXJDAKTTXOB-ZNZIZOMTSA-N
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