ChemSpider 2D Image | N-{(5S)-5-[{[4-(Aminomethyl)phenyl]sulfonyl}(isobutyl)amino]-6-hydroxyhexyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide | C34H46N4O6S

N-{(5S)-5-[{[4-(Aminomethyl)phenyl]sulfonyl}(isobutyl)amino]-6-hydroxyhexyl}-Nα-(methoxycarbonyl)-β-phenyl-L-phenylalaninamide

  • Molecular FormulaC34H46N4O6S
  • Average mass638.817 Da
  • Monoisotopic mass638.313782 Da
  • ChemSpider ID25058139

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-2-[[(5S)-5-[[[4-(aminomethyl)phenyl]sulfonyl](2-methylpropyl)amino]-6-hydroxyhexyl]amino]-1-(diphenylmethyl)-2-oxoethyl]-, methyl ester [ACD/Index Name]
N-{(5S)-5-[{[4-(Aminomethyl)phenyl]sulfonyl}(isobutyl)amino]-6-hydroxyhexyl}-Nα-(methoxycarbonyl)-β-phenyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{(5S)-5-[{[4-(Aminomethyl)phenyl]sulfonyl}(isobutyl)amino]-6-hydroxyhexyl}-Nα-(methoxycarbonyl)-β-phenyl-L-phenylalaninamide [ACD/IUPAC Name]
N-{(5S)-5-[{[4-(Aminométhyl)phényl]sulfonyl}(isobutyl)amino]-6-hydroxyhexyl}-Nα-(méthoxycarbonyl)-β-phényl-L-phénylalaninamide [French] [ACD/IUPAC Name]
MUW

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: 1.582
Molar Refractivity: 177.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.21
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 34.72
ACD/KOC (pH 7.4): 200.45
Polar Surface Area: 159 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 531.0±3.0 cm3

Click to predict properties on the Chemicalize site


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