ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S,3R,4R)-4-[(4-ethoxybenzyl)amino]-3-hydroxy-5-{[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxo-1-phenyl-2-pentanyl]carbamate | C34H43N3O6

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

  • Molecular FormulaC34H43N3O6
  • Average mass589.722 Da
  • Monoisotopic mass589.315186 Da
  • ChemSpider ID407092

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

[(2S,3R,4R)-4-[(4-Éthoxybenzyl)amino]-3-hydroxy-5-{[(2R)-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-5-oxo-1-phényl-2-pentanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3R,4R)-4-[(4-ethoxybenzyl)amino]-3-hydroxy-5-{[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxo-1-phenyl-2-pentanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3R,4R)-4-[(4-ethoxybenzyl)amino]-3-hydroxy-5-{[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxo-1-phenyl-2-pentanyl]carbamat [German] [ACD/IUPAC Name]
tert-butyl [(2S,3R,4R)-4-[(4-ethoxybenzyl)amino]-3-hydroxy-5-{[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxo-1-phenylpentan-2-yl]carbamate (non-preferred name)
[(1S,2R,3R)-1-Benzyl-3-(4-ethoxy-benzylamino)-2-hydroxy-3-((R)-(R)-2-hydroxy-indan-1-ylcarbamoyl)-propyl]-carbamic acid tert-butyl ester
[(1S,2S,3R)-1-Benzyl-3-(4-ethoxy-benzylamino)-2-hydroxy-3-((R)-2-hydroxy-indan-1-ylcarbamoyl)-propyl]-carbamic acid tert-butyl ester
4NH3OH-5PhBuCOOH, 2NH-PHCH2
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL303308/

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

AIDS032576 [DBID]
AIDS-032576 [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: 828.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 454.9±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 165.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 4477.65
ACD/KOC (pH 5.5): 12069.38
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 8028.48
ACD/KOC (pH 7.4): 21640.54
Polar Surface Area: 129 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 475.2±5.0 cm3

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