ChemSpider 2D Image | (1R,2S,5S)-N-(4-Amino-1-cyclopropyl-3,4-dioxo-2-butanyl)-3-(N-{[(2S)-3,3-dimethyl-1-oxo-1-phenyl-2-butanyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | C34H49N5O6

(1R,2S,5S)-N-(4-Amino-1-cyclopropyl-3,4-dioxo-2-butanyl)-3-(N-{[(2S)-3,3-dimethyl-1-oxo-1-phenyl-2-butanyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

  • Molecular FormulaC34H49N5O6
  • Average mass623.783 Da
  • Monoisotopic mass623.368286 Da
  • ChemSpider ID9619845

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1R,2S,5S)-N-(4-Amino-1-cyclopropyl-3,4-dioxo-2-butanyl)-3-(N-{[(2S)-3,3-dimethyl-1-oxo-1-phenyl-2-butanyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-carboxamid [German] [ACD/IUPAC Name]
(1R,2S,5S)-N-(4-Amino-1-cyclopropyl-3,4-dioxo-2-butanyl)-3-(N-{[(2S)-3,3-dimethyl-1-oxo-1-phenyl-2-butanyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide [ACD/IUPAC Name]
(1R,2S,5S)-N-(4-Amino-1-cyclopropyl-3,4-dioxo-2-butanyl)-3-(N-{[(2S)-3,3-diméthyl-1-oxo-1-phényl-2-butanyl]carbamoyl}-3-méthyl-L-valyl)-6,6-diméthyl-3-azabicyclo[3.1.0]hexane-2-carboxamide [French] [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[3-amino-1-(cyclopropylmethyl)-2,3-dioxopropyl]-3-[(2S)-2-[[[[(1S)-1-benzoyl-2,2-dimethylpropyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-, (1R,2S,5S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.558
Molar Refractivity: 168.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 285.77
ACD/KOC (pH 5.5): 1992.25
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 285.76
ACD/KOC (pH 7.4): 1992.21
Polar Surface Area: 168 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 521.9±3.0 cm3

Click to predict properties on the Chemicalize site


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