ChemSpider 2D Image | 2-Methyl-2-propanyl 1-[(2R,3S)-2-hydroxy-3-{[N~2~-(2-naphthoyl)-L-asparaginyl]amino}-4-phenylbutyl]-L-prolinate | C34H42N4O6

2-Methyl-2-propanyl 1-[(2R,3S)-2-hydroxy-3-{[N2-(2-naphthoyl)-L-asparaginyl]amino}-4-phenylbutyl]-L-prolinate

  • Molecular FormulaC34H42N4O6
  • Average mass602.721 Da
  • Monoisotopic mass602.310425 Da
  • ChemSpider ID397873

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(2R,3S)-2-Hydroxy-3-{[N2-(2-naphtoyl)-L-asparaginyl]amino}-4-phénylbutyl]-L-prolinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1-[(2R,3S)-2-hydroxy-3-{[N2-(2-naphthoyl)-L-asparaginyl]amino}-4-phenylbutyl]-L-prolinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1-[(2R,3S)-2-hydroxy-3-{[N2-(2-naphthoyl)-L-asparaginyl]amino}-4-phenylbutyl]-L-prolinat [German] [ACD/IUPAC Name]
L-Proline, 1-[(2R,3S)-3-[[(2S)-4-amino-2-[(2-naphthalenylcarbonyl)amino]-1,4-dioxobutyl]amino]-2-hydroxy-4-phenylbutyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
(2-Naphthalcarbonyl)Asn(decarbonylPhe-hydroxyethyl)ProOtertButyl
(2-Naphthalcarbonyl)Asn[decarbonylPhe-hydroxyethyl]ProOtertButyl
127749-96-6 [RN]
2NaphCOAsnPhe(CHOHCH2)Pro-OtBu
2NaphCOAsnPhe[CHOHCH2]Pro-OtBu
L-Proline, 1-(3-((4-amino-2-((2-naphthalenylcarbonyl)amino)-1,4-dioxobutyl)amino)-2-hydroxy-4-phenylbutyl)-, 1,1-dimethylethyl ester, (2R-(2R*,3S*(S*)))-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS000705 [DBID]
AIDS-000705 [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: 907.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.2±3.0 kJ/mol
Flash Point: 502.5±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 168.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 7.57
ACD/KOC (pH 5.5): 41.14
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 309.91
ACD/KOC (pH 7.4): 1685.11
Polar Surface Area: 151 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 488.5±3.0 cm3

Click to predict properties on the Chemicalize site


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