ChemSpider 2D Image | N-{(2S,3R)-2-[(N-Benzylglycyl)amino]-3-methylpentyl}-N-(1-naphthylmethyl)glycyl-L-methionine | C33H44N4O4S

N-{(2S,3R)-2-[(N-Benzylglycyl)amino]-3-methylpentyl}-N-(1-naphthylmethyl)glycyl-L-methionine

  • Molecular FormulaC33H44N4O4S
  • Average mass592.792 Da
  • Monoisotopic mass592.308350 Da
  • ChemSpider ID23197199

  • 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-[[2-[(phenylmethyl)amino]acetyl]amino]pentyl]-N-(1-naphthalenylmethyl)glycyl- [ACD/Index Name]
N-{(2S,3R)-2-[(N-Benzylglycyl)amino]-3-methylpentyl}-N-(1-naphthylmethyl)glycyl-L-methionin [German] [ACD/IUPAC Name]
N-{(2S,3R)-2-[(N-Benzylglycyl)amino]-3-methylpentyl}-N-(1-naphthylmethyl)glycyl-L-methionine [ACD/IUPAC Name]
N-{(2S,3R)-2-[(N-Benzylglycyl)amino]-3-méthylpentyl}-N-(1-naphtylméthyl)glycyl-L-méthionine [French] [ACD/IUPAC Name]
(S)-2-(2-{[(S)-2-(2-Benzylamino-acetylamino)-3-methyl-pentyl]-naphthalen-1-ylmethyl-amino}-acetylamino)-4-methylsulfanyl-butyric acid
CHEMBL113221

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

Density: 1.2±0.1 g/cm3
Boiling Point: 834.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 458.5±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 171.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 6.08
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 7.23
Polar Surface Area: 136 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 502.3±3.0 cm3

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