ChemSpider 2D Image | (1R,2S,5S)-N-(4-Amino-1-cyclopropyl-3,4-dioxo-2-butanyl)-3-(N-{[(2S)-1-cyclohexyl-3-methyl-1-oxo-2-butanyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | C33H53N5O6

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

  • Molecular FormulaC33H53N5O6
  • Average mass615.804 Da
  • Monoisotopic mass615.399597 Da
  • ChemSpider ID9631148

  • 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-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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-(cyclohexylcarbonyl)-2-methylpropyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-d imethyl-, (1R,2S,5S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL470646/

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: 1.541
Molar Refractivity: 164.3±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): 3.16
ACD/BCF (pH 5.5): 148.76
ACD/KOC (pH 5.5): 1248.51
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.75
ACD/KOC (pH 7.4): 1248.48
Polar Surface Area: 168 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 522.5±3.0 cm3

Click to predict properties on the Chemicalize site


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