Found 1 result

Search term: c1cc(ccc1NC(=O)CCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)F (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | N-({(1S)-1-Carboxy-5-[(4-fluorophenyl)amino]-5-oxopentyl}carbamoyl)-L-glutamic acid | C18H22FN3O8

N-({(1S)-1-Carboxy-5-[(4-fluorophenyl)amino]-5-oxopentyl}carbamoyl)-L-glutamic acid

  • Molecular FormulaC18H22FN3O8
  • Average mass427.381 Da
  • Monoisotopic mass427.139099 Da
  • ChemSpider ID90663215

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide N-({(1S)-1-carboxy-5-[(4-fluorophényl)amino]-5-oxopentyl}carbamoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[[[(1S)-1-carboxy-5-[(4-fluorophenyl)amino]-5-oxopentyl]amino]carbonyl]- [ACD/Index Name]
N-({(1S)-1-Carboxy-5-[(4-fluorophenyl)amino]-5-oxopentyl}carbamoyl)-L-glutamic acid [ACD/IUPAC Name]
N-({(1S)-1-Carboxy-5-[(4-fluorphenyl)amino]-5-oxopentyl}carbamoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 831.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.7±3.0 kJ/mol
Flash Point: 456.7±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 98.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -3.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 291.2±3.0 cm3

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