ChemSpider 2D Image | L-Alanyl-L-alanyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-phenylalaninamide | C25H28N4O5

L-Alanyl-L-alanyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-phenylalaninamide

  • Molecular FormulaC25H28N4O5
  • Average mass464.514 Da
  • Monoisotopic mass464.205963 Da
  • ChemSpider ID21436042

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Alanyl-L-alanyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-phenylalaninamid [German] [ACD/IUPAC Name]
L-Alanyl-L-alanyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-phenylalaninamide [ACD/IUPAC Name]
L-Alanyl-L-alanyl-N-(4-méthyl-2-oxo-2H-chromén-7-yl)-L-phénylalaninamide [French] [ACD/IUPAC Name]
L-Phenylalaninamide, L-alanyl-L-alanyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)- [ACD/Index Name]
(2S)-2-[(2S)-2-[(2S)-2-AMINOPROPANAMIDO]PROPANAMIDO]-N-(4-METHYL-2-OXO-2H-CHROMEN-7-YL)-3-PHENYLPROPANAMIDE
(2S)-2-[(2S)-2-[(2S)-2-AMINOPROPANAMIDO]PROPANAMIDO]-N-(4-METHYL-2-OXOCHROMEN-7-YL)-3-PHENYLPROPANAMIDE
(S)-2-((S)-2-((S)-2-aminopropanamido)propanamido)-N-(4-methyl-2-oxo-2H-chromen-7-yl)-3-phenylpropanamide
[62037-41-6] [RN]
62037-41-6 [RN]
A-4450
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 831.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 456.4±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 126.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.83
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.29
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 3.38
ACD/KOC (pH 7.4): 61.06
Polar Surface Area: 140 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 361.1±3.0 cm3

Click to predict properties on the Chemicalize site


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