Found 61 results

Search term: MF = 'C_{35}H_{52}N_{4}O_{6}'
ChemSpider 2D Image | (2R,4S,5S)-2-Ethyl-4-hydroxy-5-({N-[(2S)-2-hydroxy-3-methylbutanoyl]-L-alanyl}amino)-N-[(2S)-3-methyl-1-oxo-1-{[(1R)-1-phenylethyl]amino}-2-butanyl]-6-phenylhexanamide | C35H52N4O6

(2R,4S,5S)-2-Ethyl-4-hydroxy-5-({N-[(2S)-2-hydroxy-3-methylbutanoyl]-L-alanyl}amino)-N-[(2S)-3-methyl-1-oxo-1-{[(1R)-1-phenylethyl]amino}-2-butanyl]-6-phenylhexanamide

  • Molecular FormulaC35H52N4O6
  • Average mass624.811 Da
  • Monoisotopic mass624.388672 Da
  • ChemSpider ID23172956

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,4S,5S)-2-Ethyl-4-hydroxy-5-({N-[(2S)-2-hydroxy-3-methylbutanoyl]-L-alanyl}amino)-N-[(2S)-3-methyl-1-oxo-1-{[(1R)-1-phenylethyl]amino}-2-butanyl]-6-phenylhexanamid [German] [ACD/IUPAC Name]
(2R,4S,5S)-2-Ethyl-4-hydroxy-5-({N-[(2S)-2-hydroxy-3-methylbutanoyl]-L-alanyl}amino)-N-[(2S)-3-methyl-1-oxo-1-{[(1R)-1-phenylethyl]amino}-2-butanyl]-6-phenylhexanamide [ACD/IUPAC Name]
(2R,4S,5S)-2-Éthyl-4-hydroxy-5-({N-[(2S)-2-hydroxy-3-méthylbutanoyl]-L-alanyl}amino)-N-[(2S)-3-méthyl-1-oxo-1-{[(1R)-1-phényléthyl]amino}-2-butanyl]-6-phénylhexanamide [French] [ACD/IUPAC Name]
(2R,4S,5S)-2-ethyl-4-hydroxy-5-({N-[(2S)-2-hydroxy-3-methylbutanoyl]-L-alanyl}amino)-N-[(2S)-3-methyl-1-oxo-1-{[(1R)-1-phenylethyl]amino}butan-2-yl]-6-phenylhexanamide
Benzenehexanamide, α-ethyl-γ-hydroxy-δ-[[(2S)-2-[[(2S)-2-hydroxy-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-N-[(1S)-2-methyl-1-[[[(1R)-1-phenylethyl]amino]carbonyl]propyl]-, (αR,gam 
maS,δS)- [ACD/Index Name]
benzenehexanamide, α-ethyl-γ-hydroxy-δ-[[(2S)-2-[[(2S)-2-hydroxy-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-N-[(1S)-2-methyl-1-[[[(1R)-1-phenylethyl]amino]carbonyl]propyl]-, (αR,γS,δS)-
(S)-2-Ethyl-4-(S)-hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl-butyrylamino)-propionylamino]-6-phenyl-hexanoic acid [(S)-2-methyl-1-((R)-1-phenyl-ethylcarbamoyl)-propyl]-amide
CHEMBL82504

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

Density: 1.1±0.1 g/cm3
Boiling Point: 931.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.9±3.0 kJ/mol
Flash Point: 517.1±34.3 °C
Index of Refraction: 1.546
Molar Refractivity: 174.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 261.77
ACD/KOC (pH 5.5): 1871.01
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 261.77
ACD/KOC (pH 7.4): 1871.00
Polar Surface Area: 157 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 552.1±3.0 cm3

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