ChemSpider 2D Image | N-[(5S)-5-{[(4-Aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-beta-phenyl-Nalpha-(1H-pyrrol-2-ylcarbonyl)-L-phenylalaninamide | C36H45N5O5S

N-[(5S)-5-{[(4-Aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-β-phenyl-Nα-(1H-pyrrol-2-ylcarbonyl)-L-phenylalaninamide

  • Molecular FormulaC36H45N5O5S
  • Average mass659.838 Da
  • Monoisotopic mass659.314148 Da
  • ChemSpider ID448472

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxamide, N-[(1S)-2-[[(5S)-5-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-6-hydroxyhexyl]amino]-1-(diphenylmethyl)-2-oxoethyl]- [ACD/Index Name]
N-[(5S)-5-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-6-hydroxyhexyl]-β-phenyl-Nα-(1H-pyrrol-2-ylcarbonyl)-L-phenylalaninamide
N-[(5S)-5-{[(4-Aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-β-phenyl-Nα-(1H-pyrrol-2-ylcarbonyl)-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(5S)-5-{[(4-Aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-β-phenyl-Nα-(1H-pyrrol-2-ylcarbonyl)-L-phenylalaninamide [ACD/IUPAC Name]
N-[(5S)-5-{[(4-Aminophényl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-β-phényl-Nα-(1H-pyrrol-2-ylcarbonyl)-L-phénylalaninamide [French] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxylic acid ((1S)-1-{(5S)-5-[(4-amino-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2,2-diphenyl-ethyl)-amide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL379751/
N-((S)-1-((S)-5-(4-amino-N-isobutylphenylsulfonamido)-6-hydroxyhexylamino)-1-oxo-3,3-diphenylpropan-2-yl)-1H-pyrrole-2-carboxamide

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

AIDS189778 [DBID]
AIDS-189778 [DBID]
MX-256 [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: 1.613
Molar Refractivity: 184.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1776.50
ACD/KOC (pH 5.5): 7367.79
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1776.78
ACD/KOC (pH 7.4): 7368.98
Polar Surface Area: 166 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 531.0±3.0 cm3

Click to predict properties on the Chemicalize site


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