ChemSpider 2D Image | H-Tyr-Tic-Phe-Phe-OH | C37H38N4O6

H-Tyr-Tic-Phe-Phe-OH

  • Molecular FormulaC37H38N4O6
  • Average mass634.721 Da
  • Monoisotopic mass634.279114 Da
  • ChemSpider ID559232

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

146369-65-5 [RN]
H-Tyr-Tic-Phe-Phe-OH
L-Phenylalanine, N-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl]-L-phenylalanyl- [ACD/Index Name]
N-{[(3S)-2-(L-Tyrosyl)-1,2,3,4-tetrahydro-3-isochinolinyl]carbonyl}-L-phenylalanyl-L-phenylalanin [German] [ACD/IUPAC Name]
N-{[(3S)-2-(L-Tyrosyl)-1,2,3,4-tétrahydro-3-isoquinoléinyl]carbonyl}-L-phénylalanyl-L-phénylalanine [French] [ACD/IUPAC Name]
N-{[(3S)-2-(L-Tyrosyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}-L-phenylalanyl-L-phenylalanine [ACD/IUPAC Name]
N-{[(3S)-2-(L-tyrosyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}-L-phenylalanyl-L-phenylalanine
(2S)-2-[[(2S)-2-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
2-[(S)-2-({(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-3-phenyl-propionylamino]-3-(S)-phenyl-propionic acid
CHEMBL191751
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 994.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 151.9±3.0 kJ/mol
    Flash Point: 555.1±34.3 °C
    Index of Refraction: 1.647
    Molar Refractivity: 175.7±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 6
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 4
    ACD/LogP: 5.51
    ACD/LogD (pH 5.5): 1.13
    ACD/BCF (pH 5.5): 1.07
    ACD/KOC (pH 5.5): 7.11
    ACD/LogD (pH 7.4): 1.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.86
    Polar Surface Area: 162 Å2
    Polarizability: 69.7±0.5 10-24cm3
    Surface Tension: 64.8±3.0 dyne/cm
    Molar Volume: 483.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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