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Search term: CC(C)[C@H](C(=O)O)OC(=O)[C@H]([C@H](C)S)NC(=O)CCC[C@@H](C(=O)O)N (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N~6~-{(2R,3S)-1-[(1R)-1-Carboxy-2-methylpropoxy]-1-oxo-3-sulfanyl-2-butanyl}-6-oxo-L-lysine | C15H26N2O7S

N6-{(2R,3S)-1-[(1R)-1-Carboxy-2-methylpropoxy]-1-oxo-3-sulfanyl-2-butanyl}-6-oxo-L-lysine

  • Molecular FormulaC15H26N2O7S
  • Average mass378.441 Da
  • Monoisotopic mass378.146057 Da
  • ChemSpider ID25058250

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Lysine, N6-[(1R,2S)-1-[[(1R)-1-carboxy-2-methylpropoxy]carbonyl]-2-mercaptopropyl]-6-oxo- [ACD/Index Name]
N^6^-[(1r,2s)-1-({[(1r)-1-Carboxy-2-Methylpropyl]oxy}carbonyl)-2-Sulfanylpropyl]-6-Oxo-L-Lysine
N6-{(2R,3S)-1-[(1R)-1-Carboxy-2-methylpropoxy]-1-oxo-3-sulfanyl-2-butanyl}-6-oxo-L-lysin [German] [ACD/IUPAC Name]
N6-{(2R,3S)-1-[(1R)-1-Carboxy-2-methylpropoxy]-1-oxo-3-sulfanyl-2-butanyl}-6-oxo-L-lysine [ACD/IUPAC Name]
N6-{(2R,3S)-1-[(1R)-1-Carboxy-2-méthylpropoxy]-1-oxo-3-sulfanyl-2-butanyl}-6-oxo-L-lysine [French] [ACD/IUPAC Name]
M11

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

Density: 1.3±0.1 g/cm3
Boiling Point: 638.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 339.8±31.5 °C
Index of Refraction: 1.532
Molar Refractivity: 91.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -2.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 294.4±3.0 cm3

Click to predict properties on the Chemicalize site


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