Found 24 results

Search term: MF = 'C_{22}H_{29}ClN_{6}O_{5}S'
ChemSpider 2D Image | S-({2-[(2-Chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}benzoyl)amino]-1H-imidazol-4-yl}methyl)-L-cysteinylglycine | C22H29ClN6O5S

S-({2-[(2-Chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}benzoyl)amino]-1H-imidazol-4-yl}methyl)-L-cysteinylglycine

  • Molecular FormulaC22H29ClN6O5S
  • Average mass525.021 Da
  • Monoisotopic mass524.160889 Da
  • ChemSpider ID90656667

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Glycine, S-[[2-[[2-chloro-5-[[(2,2-dimethyl-1-oxopropyl)amino]methyl]benzoyl]amino]-1H-imidazol-4-yl]methyl]-L-cysteinyl- [ACD/Index Name]
S-({2-[(2-Chlor-5-{[(2,2-dimethylpropanoyl)amino]methyl}benzoyl)amino]-1H-imidazol-4-yl}methyl)-L-cysteinylglycin [German] [ACD/IUPAC Name]
S-({2-[(2-Chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}benzoyl)amino]-1H-imidazol-4-yl}methyl)-L-cysteinylglycine [ACD/IUPAC Name]
S-({2-[(2-Chloro-5-{[(2,2-diméthylpropanoyl)amino]méthyl}benzoyl)amino]-1H-imidazol-4-yl}méthyl)-L-cystéinylglycine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 134.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.19
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 374.1±3.0 cm3

Click to predict properties on the Chemicalize site


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