ChemSpider 2D Image | PPL-100 | C33H44N4O6S


  • Molecular FormulaC33H44N4O6S
  • Average mass624.791 Da
  • Monoisotopic mass624.298157 Da
  • ChemSpider ID448410
  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

612547-11-2 [RN]
Carbamic acid, N-[(1S)-2-[[(5S)-5-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-6-hydroxyhexyl]amino]-1-(diphenylmethyl)-2-oxoethyl]-, methyl ester [ACD/Index Name]
N-[(5S)-5-{[(4-Aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-Nα-(methoxycarbonyl)-β-phenyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(5S)-5-{[(4-Aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-Nα-(methoxycarbonyl)-β-phenyl-L-phenylalaninamide [ACD/IUPAC Name]
N-[(5S)-5-{[(4-Aminophényl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-Nα-(méthoxycarbonyl)-β-phényl-L-phénylalaninamide [French] [ACD/IUPAC Name]
((1S)-1-{(5S)-5-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2,2-diphenyl-ethyl)-carbamic acid methyl ester

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

AIDS189714 [DBID]
AIDS-189714 [DBID]
MX-100 [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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.588
    Molar Refractivity: 172.7±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 4
    ACD/LogP: 5.12
    ACD/LogD (pH 5.5): 4.01
    ACD/BCF (pH 5.5): 651.49
    ACD/KOC (pH 5.5): 3595.64
    ACD/LogD (pH 7.4): 4.01
    ACD/BCF (pH 7.4): 651.14
    ACD/KOC (pH 7.4): 3593.69
    Polar Surface Area: 159 Å2
    Polarizability: 68.5±0.5 10-24cm3
    Surface Tension: 52.6±3.0 dyne/cm
    Molar Volume: 513.3±3.0 cm3

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