ChemSpider 2D Image | 4-{[2-({N-[(Adamantan-2-yloxy)carbonyl]-alpha-methyltryptophyl}amino)-1-phenylethyl]amino}-4-oxobutanoic acid | C35H42N4O6

4-{[2-({N-[(Adamantan-2-yloxy)carbonyl]-α-methyltryptophyl}amino)-1-phenylethyl]amino}-4-oxobutanoic acid

  • Molecular FormulaC35H42N4O6
  • Average mass614.731 Da
  • Monoisotopic mass614.310425 Da
  • ChemSpider ID8092642

More details:

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

4-{[2-({N-[(Adamantan-2-yloxy)carbonyl]-α-methyltryptophyl}amino)-1-phenylethyl]amino}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{[2-({N-[(Adamantan-2-yloxy)carbonyl]-α-methyltryptophyl}amino)-1-phenylethyl]amino}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{[2-({N-[(adamantan-2-yloxy)carbonyl]-α-méthyltryptophyl}amino)-1-phényléthyl]amino}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-[[3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxo- [ACD/Index Name]
130332-27-3 [RN]
CI 988
CI-988 [Wiki]

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

CI988 [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: 949.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.8±3.0 kJ/mol
Flash Point: 528.1±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 168.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 239.73
ACD/KOC (pH 5.5): 997.86
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 3.80
ACD/KOC (pH 7.4): 15.80
Polar Surface Area: 150 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 464.0±5.0 cm3

Click to predict properties on the Chemicalize site


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