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Search term: ZSLOSCKFJWHNAC-OIBXWCBGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(2S)-2-Benzyl-3-sulfanylpropanoyl]-L-tryptophyl-L-proline | C26H29N3O4S

N-[(2S)-2-Benzyl-3-sulfanylpropanoyl]-L-tryptophyl-L-proline

  • Molecular FormulaC26H29N3O4S
  • Average mass479.591 Da
  • Monoisotopic mass479.187866 Da
  • ChemSpider ID23145524

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Proline, N-[(2S)-3-mercapto-1-oxo-2-(phenylmethyl)propyl]-L-tryptophyl- [ACD/Index Name]
N-[(2S)-2-Benzyl-3-sulfanylpropanoyl]-L-tryptophyl-L-prolin [German] [ACD/IUPAC Name]
N-[(2S)-2-Benzyl-3-sulfanylpropanoyl]-L-tryptophyl-L-proline [ACD/IUPAC Name]
N-[(2S)-2-Benzyl-3-sulfanylpropanoyl]-L-tryptophyl-L-proline [French] [ACD/IUPAC Name]
(S)-1-[(S)-3-(1H-Indol-3-yl)-2-((S)-2-mercaptomethyl-3-phenyl-propionylamino)-propionyl]-pyrrolidine-2-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 833.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.0±3.0 kJ/mol
Flash Point: 458.0±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 133.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 3.43
ACD/KOC (pH 5.5): 22.79
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 360.4±3.0 cm3

Click to predict properties on the Chemicalize site


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