ChemSpider 2D Image | 4-[({[(2S)-2-{[2-Amino-3-(4-hydroxyphenyl)propanoyl]amino}propanoyl]amino}acetyl)amino]-5-(benzyloxy)-5-oxopentanoic acid | C26H32N4O8

4-[({[(2S)-2-{[2-Amino-3-(4-hydroxyphenyl)propanoyl]amino}propanoyl]amino}acetyl)amino]-5-(benzyloxy)-5-oxopentanoic acid

  • Molecular FormulaC26H32N4O8
  • Average mass528.554 Da
  • Monoisotopic mass528.221985 Da
  • ChemSpider ID17461159

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

4-[({[(2S)-2-{[2-Amino-3-(4-hydroxyphenyl)propanoyl]amino}propanoyl]amino}acetyl)amino]-5-(benzyloxy)-5-oxopentanoic acid [ACD/IUPAC Name]
4-[({[(2S)-2-{[2-Amino-3-(4-hydroxyphenyl)propanoyl]amino}propanoyl]amino}acetyl)amino]-5-(benzyloxy)-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 4-[(2-{[(2S)-2-{[2-amino-3-(4-hydroxyphényl)propanoyl]amino}propanoyl]amino}acétyl)amino]-5-(benzyloxy)-5-oxopentanoïque [French] [ACD/IUPAC Name]
Glutamic acid, tyrosyl-L-alanylglycyl-, 1-(phenylmethyl) ester [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: 924.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.9±3.0 kJ/mol
Flash Point: 513.0±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 135.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 0.98
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 400.2±3.0 cm3

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