ChemSpider 2D Image | N-[(4S)-4-{[(4-Aminophenyl)sulfonyl](isobutyl)amino}-5-hydroxypentyl]-Nalpha-(4-morpholinylcarbonyl)-beta-phenyl-L-phenylalaninamide | C35H47N5O6S

N-[(4S)-4-{[(4-Aminophenyl)sulfonyl](isobutyl)amino}-5-hydroxypentyl]-Nα-(4-morpholinylcarbonyl)-β-phenyl-L-phenylalaninamide

  • Molecular FormulaC35H47N5O6S
  • Average mass665.843 Da
  • Monoisotopic mass665.324707 Da
  • ChemSpider ID448385

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Morpholinecarboxamide, N-[(1S)-2-[[(4S)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-5-hydroxypentyl]amino]-1-(diphenylmethyl)-2-oxoethyl]- [ACD/Index Name]
N-[(4S)-4-{[(4-Aminophenyl)sulfonyl](isobutyl)amino}-5-hydroxypentyl]-Nα-(4-morpholinylcarbonyl)-β-phenyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(4S)-4-{[(4-Aminophenyl)sulfonyl](isobutyl)amino}-5-hydroxypentyl]-Nα-(4-morpholinylcarbonyl)-β-phenyl-L-phenylalaninamide [ACD/IUPAC Name]
N-[(4S)-4-{[(4-Aminophényl)sulfonyl](isobutyl)amino}-5-hydroxypentyl]-Nα-(4-morpholinylcarbonyl)-β-phényl-L-phénylalaninamide [French] [ACD/IUPAC Name]
Morpholine-4-carboxylic acid ((1S)-1-{(4S)-4-[(4-amino-benzenesulfonyl)-isobutyl-amino]-5-hydroxy-pentylcarbamoyl}-2,2-diphenyl-ethyl)-amide

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

AIDS189689 [DBID]
AIDS-189689 [DBID]
MX-151 [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: 1.603
Molar Refractivity: 183.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 396.26
ACD/KOC (pH 5.5): 2518.95
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 396.19
ACD/KOC (pH 7.4): 2518.51
Polar Surface Area: 163 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 535.0±3.0 cm3

Click to predict properties on the Chemicalize site


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