ChemSpider 2D Image | Benzyl 5-[(1-{[2-(methylamino)-2-oxoethyl]amino}-1-oxo-3-{4-[(6-oxoheptanoyl)amino]phenyl}-2-propanyl)amino]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoate | C36H49N5O9

Benzyl 5-[(1-{[2-(methylamino)-2-oxoethyl]amino}-1-oxo-3-{4-[(6-oxoheptanoyl)amino]phenyl}-2-propanyl)amino]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoate

  • Molecular FormulaC36H49N5O9
  • Average mass695.802 Da
  • Monoisotopic mass695.353027 Da
  • ChemSpider ID338633

More details:

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

5-[(1-{[2-(Méthylamino)-2-oxoéthyl]amino}-1-oxo-3-{4-[(6-oxoheptanoyl)amino]phényl}-2-propanyl)amino]-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoate de benzyle [French] [ACD/IUPAC Name]
Benzyl 5-[(1-{[2-(methylamino)-2-oxoethyl]amino}-1-oxo-3-{4-[(6-oxoheptanoyl)amino]phenyl}-2-propanyl)amino]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoate [ACD/IUPAC Name]
Benzyl-5-[(1-{[2-(methylamino)-2-oxoethyl]amino}-1-oxo-3-{4-[(6-oxoheptanoyl)amino]phenyl}-2-propanyl)amino]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoat [German] [ACD/IUPAC Name]
Benzyl 4-((tert-butoxycarbonyl)amino)-5-((2-((2-(methylamino)-2-oxoethyl)amino)-2-oxo-1-(4-((6-oxoheptanoyl)amino)benzyl)ethyl)amino)-5-oxopentanoate

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

AIDS145206 [DBID]
AIDS-145206 [DBID]
NCI60_024324 [DBID]
NSC669663 [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: 1005.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.0±3.0 kJ/mol
Flash Point: 561.9±34.3 °C
Index of Refraction: 1.554
Molar Refractivity: 185.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.83
ACD/KOC (pH 5.5): 586.95
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.81
ACD/KOC (pH 7.4): 586.83
Polar Surface Area: 198 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 577.7±3.0 cm3

Click to predict properties on the Chemicalize site


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