Found 76 results

Search term: MF = 'C_{38}H_{41}N_{5}O_{5}'
ChemSpider 2D Image | (betaR)-beta-Methyl-N-{[(3S)-2-(L-tyrosyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}-D-phenylalanyl-L-phenylalaninamide | C38H41N5O5

(βR)-β-Methyl-N-{[(3S)-2-(L-tyrosyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}-D-phenylalanyl-L-phenylalaninamide

  • Molecular FormulaC38H41N5O5
  • Average mass647.763 Da
  • Monoisotopic mass647.310791 Da
  • ChemSpider ID8851069

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(βR)-β-Methyl-N-{[(3S)-2-(L-tyrosyl)-1,2,3,4-tetrahydro-3-isochinolinyl]carbonyl}-D-phenylalanyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
(βR)-β-Méthyl-N-{[(3S)-2-(L-tyrosyl)-1,2,3,4-tétrahydro-3-isoquinoléinyl]carbonyl}-D-phénylalanyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
(βR)-β-Methyl-N-{[(3S)-2-(L-tyrosyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}-D-phenylalanyl-L-phenylalaninamide [ACD/IUPAC Name]
L-Phenylalaninamide, (βR)-N-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl]-β-methyl-D-phenylalanyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1013.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.1±3.0 kJ/mol
Flash Point: 566.7±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 182.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.12
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 50.29
ACD/KOC (pH 7.4): 360.55
Polar Surface Area: 168 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 507.0±3.0 cm3

Click to predict properties on the Chemicalize site


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