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Search term: JRSRZYFBWXHHNX-KKUQBAQOSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(4aR,5S)-2-benzyl-1,3-dioxooctahydro-1H-pyrido[1,2-c]pyrimidin-5-yl]-Nalpha-(tert-butoxycarbonyl)-L-tryptophanamide | C31H37N5O5

N-[(4aR,5S)-2-benzyl-1,3-dioxooctahydro-1H-pyrido[1,2-c]pyrimidin-5-yl]-Nα-(tert-butoxycarbonyl)-L-tryptophanamide

  • Molecular FormulaC31H37N5O5
  • Average mass559.656 Da
  • Monoisotopic mass559.279480 Da
  • ChemSpider ID8802028

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Carbamic acid, N-[(1S)-1-(1H-indol-3-ylmethyl)-2-[[(4aR,5S)-octahydro-1,3-dioxo-2-(phenylmethyl)-1H-pyrido[1,2-c]pyrimidin-5-yl]amino]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-[(4aR,5S)-2-benzyl-1,3-dioxooctahydro-1H-pyrido[1,2-c]pyrimidin-5-yl]-Nα-(tert-butoxycarbonyl)-L-tryptophanamide
N-[(4aR,5S)-2-Benzyl-1,3-dioxooctahydro-1H-pyrido[1,2-c]pyrimidin-5-yl]-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tryptophanamid [German] [ACD/IUPAC Name]
N-[(4aR,5S)-2-Benzyl-1,3-dioxooctahydro-1H-pyrido[1,2-c]pyrimidin-5-yl]-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tryptophanamide [ACD/IUPAC Name]
N-[(4aR,5S)-2-Benzyl-1,3-dioxooctahydro-1H-pyrido[1,2-c]pyrimidin-5-yl]-Nα-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-tryptophaneamide [French] [ACD/IUPAC Name]
[(S)-1-((4aR,5S)-2-Benzyl-1,3-dioxo-octahydro-pyrido[1,2-c]pyrimidin-5-ylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 154.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 261.44
ACD/KOC (pH 5.5): 1870.49
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 261.38
ACD/KOC (pH 7.4): 1870.06
Polar Surface Area: 124 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 424.7±5.0 cm3

Click to predict properties on the Chemicalize site


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