ChemSpider 2D Image | N-Acetyl-L-alanyl-L-alanyl-N-{(2S)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)amino]propanoyl}-L-prolinamide | C26H33N5O7

N-Acetyl-L-alanyl-L-alanyl-N-{(2S)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)amino]propanoyl}-L-prolinamide

  • Molecular FormulaC26H33N5O7
  • Average mass527.570 Da
  • Monoisotopic mass527.237976 Da
  • ChemSpider ID4677823

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Prolinamide, N-acetyl-L-alanyl-L-alanyl-N-[(2S)-2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]-1-oxopropyl]- [ACD/Index Name]
N-Acetyl-L-alanyl-L-alanyl-N-{(2S)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)amino]propanoyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-Acetyl-L-alanyl-L-alanyl-N-{(2S)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)amino]propanoyl}-L-prolinamide [ACD/IUPAC Name]
N-Acétyl-L-alanyl-L-alanyl-N-{(2S)-2-[(4-méthyl-2-oxo-2H-chromén-7-yl)amino]propanoyl}-L-prolinamide [French] [ACD/IUPAC Name]
(2S)-N-[(2S)-1-[(2S)-2-[(2S)-2-ACETAMIDOPROPANAMIDO]PROPANOYL]PYRROLIDINE-2-CARBONYL]-2-[(4-METHYL-2-OXOCHROMEN-7-YL)AMINO]PROPANAMIDE
62037-45-0 [RN]
N-Ac-Ala-ala-pro-ala-amc
N-Acetyl-alanyl-alanyl-prolyl-alanyl-amidomethylcoumarin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 904.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 500.9±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.18
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.38
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.31
Polar Surface Area: 163 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 402.8±3.0 cm3

Click to predict properties on the Chemicalize site


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