Found 9 results

Search term: MF = 'C_{45}H_{54}N_{8}O_{10}'
ChemSpider 2D Image | N-(tert-butoxycarbonyl)-L-tryptophyl-N~6~-[(5-methoxy-1H-indol-2-yl)carbonyl]-L-lysyl-L-alpha-aspartyl-L-phenylalaninamide | C45H54N8O10

N-(tert-butoxycarbonyl)-L-tryptophyl-N6-[(5-methoxy-1H-indol-2-yl)carbonyl]-L-lysyl-L-α-aspartyl-L-phenylalaninamide

  • Molecular FormulaC45H54N8O10
  • Average mass866.958 Da
  • Monoisotopic mass866.396301 Da
  • ChemSpider ID23154065

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-tryptophyl-N6-[(5-methoxy-1H-indol-2-yl)carbonyl]-L-lysyl-L-α-aspartyl- [ACD/Index Name]
N-(tert-butoxycarbonyl)-L-tryptophyl-N6-[(5-methoxy-1H-indol-2-yl)carbonyl]-L-lysyl-L-α-aspartyl-L-phenylalaninamide
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-tryptophyl-N6-[(5-methoxy-1H-indol-2-yl)carbonyl]-L-lysyl-L-α-asparagyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-tryptophyl-N6-[(5-methoxy-1H-indol-2-yl)carbonyl]-L-lysyl-L-α-aspartyl-L-phenylalaninamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-tryptophyl-N6-[(5-méthoxy-1H-indol-2-yl)carbonyl]-L-lysyl-L-α-aspartyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[(5-methoxy-1H-indole-2-carbonyl)-amino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid.AcOH
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL302911/

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1288.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 202.2±3.0 kJ/mol
Flash Point: 733.2±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 233.9±0.3 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 4
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 16.28
ACD/KOC (pH 5.5): 107.88
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.82
Polar Surface Area: 276 Å2
Polarizability: 92.7±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 657.3±3.0 cm3

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