ChemSpider 2D Image | TERT-BUTYL 4-[({[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL}AMINO)CARBONYL]BENZYLCARBAMATE | C37H48N6O7S

TERT-BUTYL 4-[({[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL}AMINO)CARBONYL]BENZYLCARBAMATE

  • Molecular FormulaC37H48N6O7S
  • Average mass720.878 Da
  • Monoisotopic mass720.330505 Da
  • ChemSpider ID3571964

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{4-[({1-[(2S,3R)-3-Hydroxy-4-{isobutyl[(4-méthoxyphényl)sulfonyl]amino}-1-phényl-2-butanyl]-1H-1,2,3-triazol-4-yl}méthyl)carbamoyl]benzyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {4-[({1-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]-1H-1,2,3-triazol-4-yl}methyl)carbamoyl]benzyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{4-[({1-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]-1H-1,2,3-triazol-4-yl}methyl)carbamoyl]benzyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[[4-[[[[1-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-1H-1,2,3-triazol-4-yl]methyl]amino]carbonyl]phenyl]methyl]-, 1,1-dimethylethy l ester [ACD/Index Name]
TERT-BUTYL 4-[({[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL}AMINO)CARBONYL]BENZYLCARBAMATE
A83
HIV-1 PR Inhibitor, compound 8

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: 1.599
Molar Refractivity: 197.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5738.42
ACD/KOC (pH 5.5): 17066.08
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5738.30
ACD/KOC (pH 7.4): 17065.73
Polar Surface Area: 173 Å2
Polarizability: 78.3±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 578.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement