ChemSpider 2D Image | N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N~2~-(methylcarbamoyl)valinamide | C30H39N5O5S

N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-(methylcarbamoyl)valinamide

  • Molecular FormulaC30H39N5O5S
  • Average mass581.726 Da
  • Monoisotopic mass581.267212 Da
  • ChemSpider ID31045987

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

176655-57-5 [RN]
Carbamic acid, N-[(1S,2S,4S)-2-hydroxy-4-[[(2S)-3-methyl-2-[[(methylamino)carbonyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester [ACD/Index Name]
N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-(methylcarbamoyl)valinamid [German] [ACD/IUPAC Name]
N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-(methylcarbamoyl)valinamide [ACD/IUPAC Name]
N-[(2S,4S,5S)-4-Hydroxy-1,6-diphényl-5-{[(1,3-thiazol-5-ylméthoxy)carbonyl]amino}-2-hexanyl]-N2-(méthylcarbamoyl)valinamide [French] [ACD/IUPAC Name]
THIAZOL-5-YLMETHYL N-((1S,2S,4S)-1-BENZYL-2-HYDROXY-4-(((2S)-3-METHYL-2-(METHYLCARBAMOYLAMINO)BUTANOYL)AMINO)-5-PHENYL-PENTYL)CARBAMATE
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-(methylcarbamoylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
Des(isopropylthiazolyl) Ritonavir
N-[(2S,4S,5S)-4-Hydroxy-1,6-diphenyl-5-({[(1,3-thiazol-5-yl)methoxy]carbonyl}amino)hexan-2-yl]-N2-(methylcarbamoyl)-L-valinamide
thiazol-5-ylmethyl ((2S,3S,5S)-3-hydroxy-5-((S)-3-methyl-2-(3-methylureido)butanamido)-1,6-diphenylhexan-2-yl)carbamate

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

65L8ALZ6FJ [DBID]
UNII:65L8ALZ6FJ [DBID]
UNII-65L8ALZ6FJ [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 870.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 132.5±3.0 kJ/mol
    Flash Point: 480.2±34.3 °C
    Index of Refraction: 1.587
    Molar Refractivity: 159.0±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 3
    ACD/LogP: 3.25
    ACD/LogD (pH 5.5): 3.51
    ACD/BCF (pH 5.5): 273.88
    ACD/KOC (pH 5.5): 1932.37
    ACD/LogD (pH 7.4): 3.51
    ACD/BCF (pH 7.4): 273.94
    ACD/KOC (pH 7.4): 1932.82
    Polar Surface Area: 170 Å2
    Polarizability: 63.0±0.5 10-24cm3
    Surface Tension: 52.3±3.0 dyne/cm
    Molar Volume: 473.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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