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Search term: UZDORQWMYRRLQV-SAIUNTKASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R)-2-({(2S)-3-(4-Biphenylyl)-2-[(3,5-dimethylbenzoyl)(methyl)amino]propanoyl}amino)-3-(1H-indol-3-yl)propanoic acid (non-preferred name) | C36H35N3O4

(2R)-2-({(2S)-3-(4-Biphenylyl)-2-[(3,5-dimethylbenzoyl)(methyl)amino]propanoyl}amino)-3-(1H-indol-3-yl)propanoic acid (non-preferred name)

  • Molecular FormulaC36H35N3O4
  • Average mass573.681 Da
  • Monoisotopic mass573.262756 Da
  • ChemSpider ID35033891

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-({(2S)-3-(4-Biphenylyl)-2-[(3,5-dimethylbenzoyl)(methyl)amino]propanoyl}amino)-3-(1H-indol-3-yl)propanoic acid (non-preferred name) [ACD/IUPAC Name]
(2R)-2-({(2S)-3-(4-Biphenylyl)-2-[(3,5-dimethylbenzoyl)(methyl)amino]propanoyl}amino)-3-(1H-indol-3-yl)propansäure (non-preferred name) [German] [ACD/IUPAC Name]
(2r)-2-({(2s)-3-(Biphenyl-4-Yl)-2-[(3,5-Dimethylbenzoyl)(Methyl)amino]propanoyl}amino)-3-(1h-Indol-3-Yl)propanoic Acid (Non-Preferred Name)
Acide (2R)-2-({(2S)-3-(4-biphénylyl)-2-[(3,5-diméthylbenzoyl)(méthyl)amino]propanoyl}amino)-3-(1H-indol-3-yl)propanoïque (non-preferred name) [French] [ACD/IUPAC Name]
IRL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 893.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.1±3.0 kJ/mol
Flash Point: 494.3±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 168.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 75.08
ACD/KOC (pH 5.5): 154.85
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 4.60
ACD/KOC (pH 7.4): 9.49
Polar Surface Area: 103 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 460.2±3.0 cm3

Click to predict properties on the Chemicalize site


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