ChemSpider 2D Image | Methyl N-[(2s)-4-{[(1s)-1-{[(2s)-2-Carboxypyrrolidin-1-Yl]carbonyl}-3-Methylbutyl]amino}-2-Hydroxy-4-Oxobutanoyl]-L-Leucylglycylglycinate | C26H41N5O10

Methyl N-[(2s)-4-{[(1s)-1-{[(2s)-2-Carboxypyrrolidin-1-Yl]carbonyl}-3-Methylbutyl]amino}-2-Hydroxy-4-Oxobutanoyl]-L-Leucylglycylglycinate

  • Molecular FormulaC26H41N5O10
  • Average mass583.631 Da
  • Monoisotopic mass583.285339 Da
  • ChemSpider ID8433187
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

Glycine, N-[[(2S,3S)-3-[[[(1S)-1-[[(2S)-2-carboxy-1-pyrrolidinyl]carbonyl]-3-methylbutyl]amino]carbonyl]oxiranyl]carbonyl]-L-leucylglycyl-, methyl ester [ACD/Index Name]
Methyl N-[(2s)-4-{[(1s)-1-{[(2s)-2-Carboxypyrrolidin-1-Yl]carbonyl}-3-Methylbutyl]amino}-2-Hydroxy-4-Oxobutanoyl]-L-Leucylglycylglycinate
Methyl N-{[(2S,3S)-3-({(2S)-1-[(2S)-2-carboxy-1-pyrrolidinyl]-4-methyl-1-oxo-2-pentanyl}carbamoyl)-2-oxiranyl]carbonyl}-L-leucylglycylglycinate [ACD/IUPAC Name]
MethylN-{[(2S,3S)-3-({(2S)-1-[(2S)-2-carboxy-1-pyrrolidinyl]-4-methyl-1-oxo-2-pentanyl}carbamoyl)-2-oxiranyl]carbonyl}-L-leucylglycylglycinat [German] [ACD/IUPAC Name]
N-{[(2S,3S)-3-({(2S)-1-[(2S)-2-Carboxy-1-pyrrolidinyl]-4-méthyl-1-oxo-2-pentanyl}carbamoyl)-2-oxiranyl]carbonyl}-L-leucylglycylglycinate de méthyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 957.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.1±6.0 kJ/mol
Flash Point: 532.8±34.3 °C
Index of Refraction: 1.537
Molar Refractivity: 140.8±0.3 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -2.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 213 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 450.6±3.0 cm3

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