Found 61 results

Search term: MF = 'C_{35}H_{52}N_{4}O_{6}'
ChemSpider 2D Image | benzyl [(2S)-1-{[(2S,3R)-4-{[(3S)-3-(tert-butylcarbamoyl)-4,4-dimethylpentanoyl]amino}-3-hydroxy-1-phenylbutan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate | C35H52N4O6

benzyl [(2S)-1-{[(2S,3R)-4-{[(3S)-3-(tert-butylcarbamoyl)-4,4-dimethylpentanoyl]amino}-3-hydroxy-1-phenylbutan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate

  • Molecular FormulaC35H52N4O6
  • Average mass624.811 Da
  • Monoisotopic mass624.388672 Da
  • ChemSpider ID410038

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S)-1-{[(2S,3R)-4-({(3S)-4,4-Diméthyl-3-[(2-méthyl-2-propanyl)carbamoyl]pentanoyl}amino)-3-hydroxy-1-phényl-2-butanyl]amino}-3-méthyl-1-oxo-2-butanyl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(2S)-1-{[(2S,3R)-4-({(3S)-4,4-dimethyl-3-[(2-methyl-2-propanyl)carbamoyl]pentanoyl}amino)-3-hydroxy-1-phenyl-2-butanyl]amino}-3-methyl-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
benzyl [(2S)-1-{[(2S,3R)-4-{[(3S)-3-(tert-butylcarbamoyl)-4,4-dimethylpentanoyl]amino}-3-hydroxy-1-phenylbutan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate
Benzyl-[(2S)-1-{[(2S,3R)-4-({(3S)-4,4-dimethyl-3-[(2-methyl-2-propanyl)carbamoyl]pentanoyl}amino)-3-hydroxy-1-phenyl-2-butanyl]amino}-3-methyl-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[[[(1S,2R)-3-[[(3S)-3-[[(1,1-dimethylethyl)amino]carbonyl]-4,4-dimethyl-1-oxopentyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]amino]carbonyl]-2-methylpropyl]-, phenylmethyl este r [ACD/Index Name]
carbamic acid, N-[(1S)-1-[[[(1S,2R)-3-[[(3S)-3-[[(1,1-dimethylethyl)amino]carbonyl]-4,4-dimethyl-1-oxopentyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]amino]carbonyl]-2-methylpropyl]-, phenylmethyl ester
(OHEt)amide isostere
{(S)-1-[(1S,2R)-1-Benzyl-3-((S)-3-tert-butylcarbamoyl-4,4-dimethyl-pentanoylamino)-2-hydroxy-propylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL302989/

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

AIDS050391 [DBID]
AIDS-050391 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 876.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 483.9±34.3 °C
Index of Refraction: 1.539
Molar Refractivity: 175.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1106.61
ACD/KOC (pH 5.5): 5250.66
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1106.40
ACD/KOC (pH 7.4): 5249.62
Polar Surface Area: 146 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 559.2±3.0 cm3

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