ChemSpider 2D Image | N-{3-[(3R,4S)-4-{[(4-Aminophenyl)sulfonyl](3-methylbutyl)amino}-3-pyrrolidinyl]propyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide | C35H47N5O5S

N-{3-[(3R,4S)-4-{[(4-Aminophenyl)sulfonyl](3-methylbutyl)amino}-3-pyrrolidinyl]propyl}-Nα-(methoxycarbonyl)-β-phenyl-L-phenylalaninamide

  • Molecular FormulaC35H47N5O5S
  • Average mass649.843 Da
  • Monoisotopic mass649.329773 Da
  • ChemSpider ID34538807

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-2-[[3-[(3R,4S)-4-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-3-pyrrolidinyl]propyl]amino]-1-(diphenylmethyl)-2-oxoethyl]-, methyl ester [ACD/Index Name]
N-{3-[(3R,4S)-4-{[(4-Aminophenyl)sulfonyl](3-methylbutyl)amino}-3-pyrrolidinyl]propyl}-Nα-(methoxycarbonyl)-β-phenyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{3-[(3R,4S)-4-{[(4-Aminophenyl)sulfonyl](3-methylbutyl)amino}-3-pyrrolidinyl]propyl}-Nα-(methoxycarbonyl)-β-phenyl-L-phenylalaninamide [ACD/IUPAC Name]
N-{3-[(3R,4S)-4-{[(4-Aminophényl)sulfonyl](3-méthylbutyl)amino}-3-pyrrolidinyl]propyl}-Nα-(méthoxycarbonyl)-β-phényl-L-phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 182.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 4
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.62
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 11.71
ACD/KOC (pH 7.4): 56.82
Polar Surface Area: 151 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 519.3±5.0 cm3

Click to predict properties on the Chemicalize site


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