ChemSpider 2D Image | (1R,2S,5S)-N-[(2S,3R)-4-Amino-1-cyclobutyl-3-hydroxy-4-oxo-2-butanyl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)carbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide | C30H51N5O5

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

  • Molecular FormulaC30H51N5O5
  • Average mass561.756 Da
  • Monoisotopic mass561.389038 Da
  • ChemSpider ID35034074

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,5S)-N-[(2S,3R)-4-Amino-1-cyclobutyl-3-hydroxy-4-oxo-2-butanyl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)carbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexan-2-carboxamid [German] [ACD/IUPAC Name]
(1R,2S,5S)-N-[(2S,3R)-4-Amino-1-cyclobutyl-3-hydroxy-4-oxo-2-butanyl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)carbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide [ACD/IUPAC Name]
(1R,2S,5S)-N-[(2S,3R)-4-Amino-1-cyclobutyl-3-hydroxy-4-oxo-2-butanyl]-6,6-diméthyl-3-{3-méthyl-N-[(1-méthylcyclohexyl)carbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide [French] [ACD/IUPAC Name]
(1r,2s,5s)-N-[(2s,3r)-4-Amino-1-Cyclobutyl-3-Hydroxy-4-Oxobutan-2-Yl]-6,6-Dimethyl-3-{3-Methyl-N-[(1-Methylcyclohexyl)carbamoyl]-L-Valyl}-3-Azabicyclo[3.1.0]hexane-2-Carboxamide
3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[(1S,2R)-3-amino-1-(cyclobutylmethyl)-2-hydroxy-3-oxopropyl]-3-[(2S)-3,3-dimethyl-2-[[[(1-methylcyclohexyl)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: 824.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.3±6.0 kJ/mol
Flash Point: 452.1±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 153.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 790.02
ACD/KOC (pH 5.5): 4125.25
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 790.01
ACD/KOC (pH 7.4): 4125.22
Polar Surface Area: 154 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 466.2±5.0 cm3

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