ChemSpider 2D Image | (1R,2S,5S)-N-(4-Amino-1-cyclopropyl-3,4-dioxo-2-butanyl)-3-(N-{[(2S)-1-(4-hydroxyphenyl)-3-methyl-1-oxo-2-butanyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | C33H47N5O7

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

  • Molecular FormulaC33H47N5O7
  • Average mass625.756 Da
  • Monoisotopic mass625.347534 Da
  • ChemSpider ID9425641

  • 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)-1-(4-hydroxyphenyl)-3-methyl-1-oxo-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)-1-(4-hydroxyphenyl)-3-methyl-1-oxo-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)-1-(4-hydroxyphényl)-3-méthyl-1-oxo-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-(4-hydroxybenzoyl)-2-methylpropyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dim ethyl-, (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: 1.571
Molar Refractivity: 165.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.02
ACD/KOC (pH 5.5): 898.04
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 72.23
ACD/KOC (pH 7.4): 689.90
Polar Surface Area: 188 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 504.2±3.0 cm3

Click to predict properties on the Chemicalize site


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