ChemSpider 2D Image | 3-({N-[(1S)-1-Carboxy-3-phenylpropyl]phenylalanyl}amino)-4-hydroxy-4-iminobutanoic acid | C23H27N3O6

3-({N-[(1S)-1-Carboxy-3-phenylpropyl]phenylalanyl}amino)-4-hydroxy-4-iminobutanoic acid

  • Molecular FormulaC23H27N3O6
  • Average mass441.477 Da
  • Monoisotopic mass441.189972 Da
  • ChemSpider ID71360706

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

3-({N-[(1S)-1-Carboxy-3-phenylpropyl]phenylalanyl}amino)-4-hydroxy-4-iminobutanoic acid [ACD/IUPAC Name]
3-({N-[(1S)-1-Carboxy-3-phenylpropyl]phenylalanyl}amino)-4-hydroxy-4-iminobutansäure [German] [ACD/IUPAC Name]
Acide 3-({N-[(1S)-1-carboxy-3-phénylpropyl]phénylalanyl}amino)-4-hydroxy-4-iminobutanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, α-[[2-[[1-(carboxymethyl)-2-hydroxy-2-iminoethyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]-, (αS)- [ACD/Index Name]
N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-α-ASPARAGINE

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 116.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 2.43
ACD/LogD (pH 5.5): -2.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 335.4±7.0 cm3

Click to predict properties on the Chemicalize site


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