ChemSpider 2D Image | N-{(2S,3R)-2-[(N-Benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl)amino]-3-methylpentyl}-N-(1-naphthylmethyl)glycyl-L-methionine | C38H52N4O6S

N-{(2S,3R)-2-[(N-Benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl)amino]-3-methylpentyl}-N-(1-naphthylmethyl)glycyl-L-methionine

  • Molecular FormulaC38H52N4O6S
  • Average mass692.908 Da
  • Monoisotopic mass692.360779 Da
  • ChemSpider ID23197114

  • 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)-2-[[2-[[(1,1-dimethylethoxy)carbonyl](phenylmethyl)amino]acetyl]amino]-3-methylpentyl]-N-(1-naphthalenylmethyl)glycyl- [ACD/Index Name]
N-{(2S,3R)-2-[(N-Benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl)amino]-3-methylpentyl}-N-(1-naphthylmethyl)glycyl-L-methionin [German] [ACD/IUPAC Name]
N-{(2S,3R)-2-[(N-Benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl)amino]-3-methylpentyl}-N-(1-naphthylmethyl)glycyl-L-methionine [ACD/IUPAC Name]
N-{(2S,3R)-2-[(N-Benzyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}glycyl)amino]-3-méthylpentyl}-N-(1-naphtylméthyl)glycyl-L-méthionine [French] [ACD/IUPAC Name]
(S)-2-[2-({(S)-2-[2-(Benzyl-tert-butoxycarbonyl-amino)-acetylamino]-3-methyl-pentyl}-naphthalen-1-ylmethyl-amino)-acetylamino]-4-methylsulfanyl-butyric acid
CHEMBL112678

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

Density: 1.2±0.1 g/cm3
Boiling Point: 885.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.8±3.0 kJ/mol
Flash Point: 489.1±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 196.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 101.71
ACD/KOC (pH 5.5): 186.46
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 13.42
ACD/KOC (pH 7.4): 24.60
Polar Surface Area: 154 Å2
Polarizability: 78.0±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 586.8±3.0 cm3

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