ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S,3S,5R)-6-{[(1S,2R,3R)-3-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-benzyl-3-hydroxy-6-oxo-1-phenyl-2-hexanyl]carbamate | C33H41N3O5

2-Methyl-2-propanyl [(2S,3S,5R)-6-{[(1S,2R,3R)-3-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-benzyl-3-hydroxy-6-oxo-1-phenyl-2-hexanyl]carbamate

  • Molecular FormulaC33H41N3O5
  • Average mass559.696 Da
  • Monoisotopic mass559.304626 Da
  • ChemSpider ID4586191
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

[(2S,3S,5R)-6-{[(1S,2R,3R)-3-Amino-2-hydroxy-2,3-dihydro-1H-indén-1-yl]amino}-5-benzyl-3-hydroxy-6-oxo-1-phényl-2-hexanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3S,5R)-6-{[(1S,2R,3R)-3-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-benzyl-3-hydroxy-6-oxo-1-phenyl-2-hexanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3S,5R)-6-{[(1S,2R,3R)-3-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-benzyl-3-hydroxy-6-oxo-1-phenyl-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S,4R)-5-[[(1S,2R,3R)-3-amino-2,3-dihydro-2-hydroxy-1H-inden-1-yl]amino]-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
132565-19-6 [RN]
Carbamic acid, (5-((3-amino-2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1a(1R*,2R*,4S*),2α,3α))-
Carbamic acid, [5-[(3-amino-2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino]-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester, [1S-[1a(1R*,2R*,4S*),2a,3a]]-
N-t-Butyloxycarbonyl-5-amino-1,6-diphenyl-4-hydroxy-2-(3-amino-2-hydroxyindanacetylamino)

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

AIDS002755 [DBID]
AIDS-002755 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 816.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 447.4±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 159.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 1.73
ACD/KOC (pH 5.5): 9.90
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 86.71
ACD/KOC (pH 7.4): 495.83
Polar Surface Area: 134 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 450.3±5.0 cm3

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