ChemSpider 2D Image | 2-[(1R)-1-{[N-(Adamantan-2-ylcarbamoyl)-L-leucyl]amino}-2-(1-methyl-1H-indol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid | C33H43N5O5

2-[(1R)-1-{[N-(Adamantan-2-ylcarbamoyl)-L-leucyl]amino}-2-(1-methyl-1H-indol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid

  • Molecular FormulaC33H43N5O5
  • Average mass589.725 Da
  • Monoisotopic mass589.326416 Da
  • ChemSpider ID9976212

  • defined stereocentres - 2 of 7 defined stereocentres

More details:

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

2-[(1R)-1-{[N-(Adamantan-2-ylcarbamoyl)-L-leucyl]amino}-2-(1-methyl-1H-indol-3-yl)ethyl]-5-methyl-1,3-oxazol-4-carbonsäure [German] [ACD/IUPAC Name]
2-[(1R)-1-{[N-(Adamantan-2-ylcarbamoyl)-L-leucyl]amino}-2-(1-methyl-1H-indol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid [ACD/IUPAC Name]
4-Oxazolecarboxylic acid, 5-methyl-2-[(1R)-2-(1-methyl-1H-indol-3-yl)-1-[[(2S)-4-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-ylamino)carbonyl]amino]pentyl]amino]ethyl]- [ACD/Index Name]
5-methyl-2-[(1R)-2-(1-methyl-1H-indol-3-yl)-1-{[N-(tricyclo[3.3.1.13,7]dec-2-ylcarbamoyl)-L-leucyl]amino}ethyl]-1,3-oxazole-4-carboxylic acid
Acide 2-[(1R)-1-{[N-(adamantan-2-ylcarbamoyl)-L-leucyl]amino}-2-(1-méthyl-1H-indol-3-yl)éthyl]-5-méthyl-1,3-oxazole-4-carboxylique [French] [ACD/IUPAC Name]
2-[(R)-1-[(S)-2-(3-Adamantan-2-yl-ureido)-4-methyl-pentanoylamino]-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-oxazole-4-carboxylic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 864.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±3.0 kJ/mol
Flash Point: 476.7±34.3 °C
Index of Refraction: 1.699
Molar Refractivity: 159.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 22.76
ACD/KOC (pH 5.5): 79.99
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 2.52
ACD/KOC (pH 7.4): 8.84
Polar Surface Area: 138 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 413.5±7.0 cm3

Click to predict properties on the Chemicalize site


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