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

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

  • Molecular FormulaC34H49N5O6
  • Average mass623.783 Da
  • Monoisotopic mass623.368286 Da
  • ChemSpider ID9471544

  • 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)-6,6-dimethyl-3-(3-methyl-N-{[(3S)-4-methyl-2-oxo-1-phenyl-3-pentanyl]carbamoyl}-L-valyl)-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)-6,6-dimethyl-3-(3-methyl-N-{[(3S)-4-methyl-2-oxo-1-phenyl-3-pentanyl]carbamoyl}-L-valyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide [ACD/IUPAC Name]
(1R,2S,5S)-N-(4-Amino-1-cyclopropyl-3,4-dioxo-2-butanyl)-6,6-diméthyl-3-(3-méthyl-N-{[(3S)-4-méthyl-2-oxo-1-phényl-3-pentanyl]carbamoyl}-L-valyl)-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)-3,3-dimethyl-2-[[[[(1S)-1-(1-methylethyl)-2-oxo-3-phenylpropyl]amino]carbonyl]amino]-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: 167.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.81
ACD/KOC (pH 5.5): 1284.66
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.81
ACD/KOC (pH 7.4): 1284.64
Polar Surface Area: 168 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 520.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement