ChemSpider 2D Image | L-gamma-Glutamyl-S-[(S)-[(4-bromophenyl)(hydroxy)amino](hydroxy)methyl]-L-cysteinylglycine | C17H23BrN4O8S

L-γ-Glutamyl-S-[(S)-[(4-bromophenyl)(hydroxy)amino](hydroxy)methyl]-L-cysteinylglycine

  • Molecular FormulaC17H23BrN4O8S
  • Average mass523.356 Da
  • Monoisotopic mass522.042000 Da
  • ChemSpider ID25060414

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5Z)-5-({(1Z,2R)-3-{[(S)-[(4-Bromophenyl)(hydroxy)amino](hydroxy)methyl]sulfanyl}-1-[(carboxymethyl)imino]-1-hydroxy-2-propanyl}imino)-5-hydroxy-L-norvaline [ACD/IUPAC Name]
(5Z)-5-({(1Z,2R)-3-{[(S)-[(4-Bromophényl)(hydroxy)amino](hydroxy)méthyl]sulfanyl}-1-[(carboxyméthyl)imino]-1-hydroxy-2-propanyl}imino)-5-hydroxy-L-norvaline [French] [ACD/IUPAC Name]
(5Z)-5-({(1Z,2R)-3-{[(S)-[(4-Bromphenyl)(hydroxy)amino](hydroxy)methyl]sulfanyl}-1-[(carboxymethyl)imino]-1-hydroxy-2-propanyl}imino)-5-hydroxy-L-norvalin [German] [ACD/IUPAC Name]
Glycine, L-γ-glutamyl-S-[(S)-[(4-bromophenyl)hydroxyamino]hydroxymethyl]-L-cysteinyl- [ACD/Index Name]
L-Norvaline, 5-[[(1R,2Z)-1-[[[(S)-[(4-bromophenyl)hydroxyamino]hydroxymethyl]thio]methyl]-2-[(carboxymethyl)imino]-2-hydroxyethyl]imino]-5-hydroxy-, (5Z)- [ACD/Index Name]
L-γ-Glutamyl-S-[(S)-[(4-bromophenyl)(hydroxy)amino](hydroxy)methyl]-L-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(S)-[(4-bromophényl)(hydroxy)amino](hydroxy)méthyl]-L-cystéinylglycine [French] [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(S)-[(4-bromphenyl)(hydroxy)amino](hydroxy)methyl]-L-cysteinylglycin [German] [ACD/IUPAC Name]
S-(N-HYDROXY-N-BROMOPHENYLCARBAMOYL)GLUTATHIONE

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

Density: 1.7±0.0 g/cm3
Boiling Point: 911.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 138.9±0.0 kJ/mol
Flash Point: 505.1±0.0 °C
Index of Refraction: 1.671
Molar Refractivity: 114.8±0.0 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 0.59
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 45.5±0.0 10-24cm3
Surface Tension: 85.1±0.0 dyne/cm
Molar Volume: 307.1±0.0 cm3

Click to predict properties on the Chemicalize site


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