ChemSpider 2D Image | tert-butyl [(2S,3S,5R)-6-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate | C29H41N3O5

tert-butyl [(2S,3S,5R)-6-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate

  • Molecular FormulaC29H41N3O5
  • Average mass511.653 Da
  • Monoisotopic mass511.304626 Da
  • ChemSpider ID4586206

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S,3S,5R)-6-{[(2S)-1-Amino-3-méthyl-1-oxo-2-butanyl]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-{[(2S)-1-amino-3-methyl-1-oxo-2-butanyl]amino}-5-benzyl-3-hydroxy-6-oxo-1-phenyl-2-hexanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3S,5R)-6-{[(2S)-1-amino-3-methyl-1-oxo-2-butanyl]amino}-5-benzyl-3-hydroxy-6-oxo-1-phenyl-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S,4R)-5-[[(1S)-1-(aminocarbonyl)-2-methylpropyl]amino]-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl [(2S,3S,5R)-6-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate
[1-Benzyl-4-(1-carbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-5-phenyl-pentyl]-carbamic acid tert-butyl ester
L-682, 679 analog 3
N-((1S)-1-Carbamoyl-2-methylpropyl)(4S,5S,2R)-5-[(tert-butoxy)carbonylamino]-4-hydroxy-6-phenyl-2-benzylhexanamide
N-[5(S)-[(tert-Butoxycarbonyl)amino]-4(S)-hydroxy-6-phenyl-2(R)-(phenylmethyl)hexanoyl]valine amide
Val-Phe-Phe-HOCH2CH2 isostere analog

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

AIDS003445 [DBID]
AIDS-003445 [DBID]
AIDS028537 [DBID]
AIDS-028537 [DBID]
SB-109026 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 773.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 421.7±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 143.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 789.00
ACD/KOC (pH 5.5): 4124.11
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 788.98
ACD/KOC (pH 7.4): 4123.99
Polar Surface Area: 131 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 449.0±3.0 cm3

Click to predict properties on the Chemicalize site


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