ChemSpider 2D Image | (2S)-N-{(2S)-1-(2-Acetylhydrazino)-3-[2-(aminoacetyl)phenyl]-1-oxo-2-propanyl}-2-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino}-N-ethyl-4-(methylsulfanyl)butanamide (non-preferred name) | C29H40N6O6S

(2S)-N-{(2S)-1-(2-Acetylhydrazino)-3-[2-(aminoacetyl)phenyl]-1-oxo-2-propanyl}-2-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino}-N-ethyl-4-(methylsulfanyl)butanamide (non-preferred name)

  • Molecular FormulaC29H40N6O6S
  • Average mass600.729 Da
  • Monoisotopic mass600.273010 Da
  • ChemSpider ID109120740

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-N-{(2S)-1-(2-Acétylhydrazino)-3-[2-(2-aminoacétyl)phényl]-1-oxo-2-propanyl}-2-{[(2S)-2-amino-3-(4-hydroxyphényl)propanoyl]amino}-N-éthyl-4-(méthylsulfanyl)butanamide (non-preferred name) [French] [ACD/IUPAC Name]
(2S)-N-{(2S)-1-(2-Acetylhydrazino)-3-[2-(aminoacetyl)phenyl]-1-oxo-2-propanyl}-2-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino}-N-ethyl-4-(methylsulfanyl)butanamid (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-N-{(2S)-1-(2-Acetylhydrazino)-3-[2-(aminoacetyl)phenyl]-1-oxo-2-propanyl}-2-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino}-N-ethyl-4-(methylsulfanyl)butanamide (non-preferred name) [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 953.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.5±3.0 kJ/mol
Flash Point: 530.3±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 162.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -3.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.25
Polar Surface Area: 222 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 472.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement