ChemSpider 2D Image | N-{(2S,3R)-3-Methyl-2-[(5-phenylpentanoyl)amino]pentyl}-N-(1-naphthylmethyl)glycyl-L-methionine | C35H47N3O4S

N-{(2S,3R)-3-Methyl-2-[(5-phenylpentanoyl)amino]pentyl}-N-(1-naphthylmethyl)glycyl-L-methionine

  • Molecular FormulaC35H47N3O4S
  • Average mass605.830 Da
  • Monoisotopic mass605.328735 Da
  • ChemSpider ID23196914

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Methionine, N-[(2S,3R)-3-methyl-2-[(1-oxo-5-phenylpentyl)amino]pentyl]-N-(1-naphthalenylmethyl)glycyl- [ACD/Index Name]
N-{(2S,3R)-3-Methyl-2-[(5-phenylpentanoyl)amino]pentyl}-N-(1-naphthylmethyl)glycyl-L-methionin [German] [ACD/IUPAC Name]
N-{(2S,3R)-3-Methyl-2-[(5-phenylpentanoyl)amino]pentyl}-N-(1-naphthylmethyl)glycyl-L-methionine [ACD/IUPAC Name]
N-{(2S,3R)-3-Méthyl-2-[(5-phénylpentanoyl)amino]pentyl}-N-(1-naphtylméthyl)glycyl-L-méthionine [French] [ACD/IUPAC Name]
(S)-2-(2-{[(S)-3-Methyl-2-(5-phenyl-pentanoylamino)-pentyl]-naphthalen-1-ylmethyl-amino}-acetylamino)-4-methylsulfanyl-butyric acid
CHEMBL113416

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

Density: 1.2±0.1 g/cm3
Boiling Point: 847.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.0±3.0 kJ/mol
Flash Point: 466.2±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 177.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 83.59
ACD/KOC (pH 5.5): 161.99
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 11.27
ACD/KOC (pH 7.4): 21.85
Polar Surface Area: 124 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 526.5±3.0 cm3

Click to predict properties on the Chemicalize site


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