ChemSpider 2D Image | N-{(2R)-2-Amino-2-[methyl(2-phenylethyl)amino]acetyl}-N-[4-(methylsulfinyl)butanoyl]-L-tyrosinamide | C25H34N4O5S

N-{(2R)-2-Amino-2-[methyl(2-phenylethyl)amino]acetyl}-N-[4-(methylsulfinyl)butanoyl]-L-tyrosinamide

  • Molecular FormulaC25H34N4O5S
  • Average mass502.626 Da
  • Monoisotopic mass502.224976 Da
  • ChemSpider ID151918

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Benzenepropanamide, α-amino-N-[(2R)-2-amino-2-[methyl(2-phenylethyl)amino]acetyl]-4-hydroxy-N-[4-(methylsulfinyl)-1-oxobutyl]-, (αS)- [ACD/Index Name]
N-{(2R)-2-Amino-2-[methyl(2-phenylethyl)amino]acetyl}-N-[4-(methylsulfinyl)butanoyl]-L-tyrosinamid [German] [ACD/IUPAC Name]
N-{(2R)-2-Amino-2-[methyl(2-phenylethyl)amino]acetyl}-N-[4-(methylsulfinyl)butanoyl]-L-tyrosinamide [ACD/IUPAC Name]
N-{(2R)-2-Amino-2-[méthyl(2-phényléthyl)amino]acétyl}-N-[4-(méthylsulfinyl)butanoyl]-L-tyrosinamide [French] [ACD/IUPAC Name]
(2S)-2-AMINO-N-[(2R)-2-AMINO-2-[METHYL(2-PHENYLETHYL)AMINO]ACETYL]-3-(4-HYDROXYPHENYL)-N-(4-METHANESULFINYLBUTANOYL)PROPANAMIDE
78263-45-3 [RN]
Glycinamide, L-tyrosyl-γ-(methylsulfinyl)-D-α-aminobutyryl-N-methyl-N-(2-phenylethyl)-
Syndyphalin
Syndyphalin-33
Tyr-D-met(O)-gly-mpa
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 729.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 395.2±35.7 °C
Index of Refraction: 1.624
Molar Refractivity: 136.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.68
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.91
Polar Surface Area: 166 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 386.4±3.0 cm3

Click to predict properties on the Chemicalize site


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