ChemSpider 2D Image | Benzyl [(2S)-4-amino-1-({(2S,3S)-3-hydroxy-4-[(3-methylbutyl){2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}amino]-4-oxo-1-phenyl-2-butanyl}amino)-1,4-dioxo-2-butanyl]carbamate | C33H47N5O7

Benzyl [(2S)-4-amino-1-({(2S,3S)-3-hydroxy-4-[(3-methylbutyl){2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}amino]-4-oxo-1-phenyl-2-butanyl}amino)-1,4-dioxo-2-butanyl]carbamate

  • Molecular FormulaC33H47N5O7
  • Average mass625.756 Da
  • Monoisotopic mass625.347534 Da
  • ChemSpider ID414013

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2S)-4-Amino-1-({(2S,3S)-3-hydroxy-4-[(3-méthylbutyl){2-[(2-méthyl-2-propanyl)amino]-2-oxoéthyl}amino]-4-oxo-1-phényl-2-butanyl}amino)-1,4-dioxo-2-butanyl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(2S)-4-amino-1-({(2S,3S)-3-hydroxy-4-[(3-methylbutyl){2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}amino]-4-oxo-1-phenyl-2-butanyl}amino)-1,4-dioxo-2-butanyl]carbamate [ACD/IUPAC Name]
Benzyl-[(2S)-4-amino-1-({(2S,3S)-3-hydroxy-4-[(3-methylbutyl){2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}amino]-4-oxo-1-phenyl-2-butanyl}amino)-1,4-dioxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-3-amino-1-[[[(1S,2S)-3-[[2-[(1,1-dimethylethyl)amino]-2-oxoethyl](3-methylbutyl)amino]-2-hydroxy-3-oxo-1-(phenylmethyl)propyl]amino]carbonyl]-3-oxopropyl]-, phenylmethyl ester [ACD/Index Name]
3-{(2S)-3-Carbamoyl-2-[(phenylmethoxy)carbonylamino]propanoylamino}(2S,3S)-N-{[N-(tert-butyl)carbamoyl]methyl}-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide

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

AIDS071277 [DBID]
AIDS-071277 [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: 928.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.5±3.0 kJ/mol
Flash Point: 515.3±34.3 °C
Index of Refraction: 1.559
Molar Refractivity: 169.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 108.57
ACD/KOC (pH 5.5): 996.57
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 108.54
ACD/KOC (pH 7.4): 996.23
Polar Surface Area: 180 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 525.0±3.0 cm3

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