ChemSpider 2D Image | N-{(2R)-2-[(1S)-5-Methoxy-2,3-dihydro-1H-inden-1-yl]-3-sulfanylpropanoyl}-L-tryptophan | C24H26N2O4S

N-{(2R)-2-[(1S)-5-Methoxy-2,3-dihydro-1H-inden-1-yl]-3-sulfanylpropanoyl}-L-tryptophan

  • Molecular FormulaC24H26N2O4S
  • Average mass438.539 Da
  • Monoisotopic mass438.161316 Da
  • ChemSpider ID23153764

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Tryptophan, N-[(2R)-2-[(1S)-2,3-dihydro-5-methoxy-1H-inden-1-yl]-3-mercapto-1-oxopropyl]- [ACD/Index Name]
N-{(2R)-2-[(1S)-5-Methoxy-2,3-dihydro-1H-inden-1-yl]-3-sulfanylpropanoyl}-L-tryptophan [ACD/IUPAC Name]
N-{(2R)-2-[(1S)-5-Methoxy-2,3-dihydro-1H-inden-1-yl]-3-sulfanylpropanoyl}-L-tryptophan [German] [ACD/IUPAC Name]
N-{(2R)-2-[(1S)-5-Méthoxy-2,3-dihydro-1H-indén-1-yl]-3-sulfanylpropanoyl}-L-tryptophane [French] [ACD/IUPAC Name]
(2S)-3-(1H-indol-3-yl)-2-[(2R)-2-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]-3-sulfanylpropanamido]propanoic acid
(S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((S)-5-methoxy-indan-1-yl)-propionylamino]-propionic acid
CHEMBL305388
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL305388/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 746.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 405.0±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 122.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 2.03
ACD/KOC (pH 5.5): 12.79
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 332.3±3.0 cm3

Click to predict properties on the Chemicalize site


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