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Search term: CCOB(OCC)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-N-[(1R)-5-amino-1-(diethoxyboryl)pentyl]-L-valinamide | C22H45BN4O6

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-N-[(1R)-5-amino-1-(diethoxyboryl)pentyl]-L-valinamide

  • Molecular FormulaC22H45BN4O6
  • Average mass472.427 Da
  • Monoisotopic mass472.343231 Da
  • ChemSpider ID59051495

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Valinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-N-[(1R)-5-amino-1-(diethoxyboryl)pentyl]- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-N-[(1R)-5-amino-1-(diethoxyboryl)pentyl]-L-valinamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-N-[(1R)-5-amino-1-(diethoxyboryl)pentyl]-L-valinamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-alanyl-N-[(1R)-5-amino-1-(diéthoxyboryl)pentyl]-L-valinamide [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 608.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.0±31.5 °C
Index of Refraction: 1.469
Molar Refractivity: 126.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 3.65
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 455.8±3.0 cm3

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