ChemSpider 2D Image | 2-Methyl-2-propanyl 1-[(2S,3S)-3-({N~2~-[(benzyloxy)carbonyl]-L-asparaginyl}amino)-2-hydroxy-4-phenylbutanoyl]-L-prolinate | C31H40N4O8

2-Methyl-2-propanyl 1-[(2S,3S)-3-({N2-[(benzyloxy)carbonyl]-L-asparaginyl}amino)-2-hydroxy-4-phenylbutanoyl]-L-prolinate

  • Molecular FormulaC31H40N4O8
  • Average mass596.671 Da
  • Monoisotopic mass596.284607 Da
  • ChemSpider ID408160

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(2S,3S)-3-({N2-[(Benzyloxy)carbonyl]-L-asparaginyl}amino)-2-hydroxy-4-phénylbutanoyl]-L-prolinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-[(2S,3S)-3-({N2-[(benzyloxy)carbonyl]-L-asparaginyl}amino)-2-hydroxy-4-phenylbutanoyl]-L-prolinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-[(2S,3S)-3-({N2-[(benzyloxy)carbonyl]-L-asparaginyl}amino)-2-hydroxy-4-phenylbutanoyl]-L-prolinat [German] [ACD/IUPAC Name]
L-Proline, 1-[(2S,3S)-3-[[(2S)-4-amino-1,4-dioxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
(2S,3S)-3-[N-(Benzyloxycarbonyl)-L-asparaginyl]amino-2-hydroxy-4-phenylbutanoyl-L-proline, tert-butyl ester
BnOCO-Asn-Apns-Pro-O-tBu

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

AIDS042825 [DBID]
AIDS-042825 [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: 889.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.5±3.0 kJ/mol
Flash Point: 491.8±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 156.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 112.56
ACD/KOC (pH 5.5): 1023.25
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.43
ACD/KOC (pH 7.4): 1022.14
Polar Surface Area: 177 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 469.3±3.0 cm3

Click to predict properties on the Chemicalize site


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