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-phenyl-1-penten-3-yl]carbamoyl}-L-valyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide | C34H49N5O5

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

  • Molecular FormulaC34H49N5O5
  • Average mass607.783 Da
  • Monoisotopic mass607.373352 Da
  • ChemSpider ID9379316

  • 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-phenyl-1-penten-3-yl]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-phenyl-1-penten-3-yl]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-phényl-1-pentén-3-yl]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-phenyl-2-propen-1-yl]amino]carbonyl]amino]-1-oxobutyl]-6, 6-dimethyl-, (1R,2S,5S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL503557/

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: 1.559
Molar Refractivity: 167.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 986.82
ACD/KOC (pH 5.5): 4837.24
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 986.81
ACD/KOC (pH 7.4): 4837.19
Polar Surface Area: 151 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 520.0±3.0 cm3

Click to predict properties on the Chemicalize site


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