ChemSpider 2D Image | 2-Methyl-2-propanyl {(2S,3R,4R)-3-hydroxy-5-{[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-[(4-methoxybenzyl)amino]-5-oxo-1-phenyl-2-pentanyl}carbamate | C33H41N3O6

2-Methyl-2-propanyl {(2S,3R,4R)-3-hydroxy-5-{[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-[(4-methoxybenzyl)amino]-5-oxo-1-phenyl-2-pentanyl}carbamate

  • Molecular FormulaC33H41N3O6
  • Average mass575.695 Da
  • Monoisotopic mass575.299561 Da
  • ChemSpider ID407018

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

{(2S,3R,4R)-3-Hydroxy-5-{[(2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-4-[(4-méthoxybenzyl)amino]-5-oxo-1-phényl-2-pentanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(2S,3R,4R)-3-hydroxy-5-{[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-[(4-methoxybenzyl)amino]-5-oxo-1-phenyl-2-pentanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2S,3R,4R)-3-hydroxy-5-{[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-[(4-methoxybenzyl)amino]-5-oxo-1-phenyl-2-pentanyl}carbamat [German] [ACD/IUPAC Name]
tert-butyl {(2S,3R,4R)-3-hydroxy-5-{[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-[(4-methoxybenzyl)amino]-5-oxo-1-phenylpentan-2-yl}carbamate (non-preferred name)
(2R,3S,4S,1'S,2'R)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxy-2-[(4-methoxybenzyl)amino]-5-phenylpentan(2'-hydroxy-1'-indanyl)amide
[(1S,2R,3R)-1-Benzyl-2-hydroxy-3-((R)-(R)-2-hydroxy-indan-1-ylcarbamoyl)-3-(4-methoxy-benzylamino)-propyl]-carbamic acid tert-butyl ester
4NH3OH-5PhBuCOOH, 2NH-PHCH2
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL305304/

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

AIDS032498 [DBID]
AIDS-032498 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 823.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 451.7±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 161.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1605.15
ACD/KOC (pH 5.5): 5611.17
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3207.95
ACD/KOC (pH 7.4): 11214.14
Polar Surface Area: 129 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 459.1±5.0 cm3

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