ChemSpider 2D Image | N-(tert-butoxycarbonyl)-L-isoleucyl-N-[(2S,3E)-5-ethoxy-5-oxo-1-phenylpent-3-en-2-yl]-L-threoninamide | C28H43N3O7

N-(tert-butoxycarbonyl)-L-isoleucyl-N-[(2S,3E)-5-ethoxy-5-oxo-1-phenylpent-3-en-2-yl]-L-threoninamide

  • Molecular FormulaC28H43N3O7
  • Average mass533.657 Da
  • Monoisotopic mass533.310120 Da
  • ChemSpider ID23320718

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Threoninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-isoleucyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-(phenylmethyl)-2-buten-1-yl]- [ACD/Index Name]
N-(tert-butoxycarbonyl)-L-isoleucyl-N-[(2S,3E)-5-ethoxy-5-oxo-1-phenylpent-3-en-2-yl]-L-threoninamide
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-isoleucyl-N-[(2S,3E)-5-ethoxy-5-oxo-1-phenyl-3-penten-2-yl]-L-threoninamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-isoleucyl-N-[(2S,3E)-5-ethoxy-5-oxo-1-phenyl-3-penten-2-yl]-L-threoninamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-isoleucyl-N-[(2S,3E)-5-éthoxy-5-oxo-1-phényl-3-pentén-2-yl]-L-thréoninamide [French] [ACD/IUPAC Name]
(S)-ethyl 4-((2S,3R)-2-((2S,3S)-2-(tert-butoxycarbonyl)-3-methylpentanamido)-3-hydroxybutanamido)-5-phenylpent-2-enoate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL403009/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 761.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 414.6±32.9 °C
Index of Refraction: 1.522
Molar Refractivity: 144.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 564.55
ACD/KOC (pH 5.5): 3245.43
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 564.41
ACD/KOC (pH 7.4): 3244.61
Polar Surface Area: 143 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 473.1±3.0 cm3

Click to predict properties on the Chemicalize site


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