ChemSpider 2D Image | N-{[2-(1-Amino-2-methylbutyl)-4,5-dihydro-1,3-thiazol-4-yl]carbonyl}leucyl-alpha-glutamyl-N-[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-sec-butyl-6-(carboxymethyl)-9-(4H-imidazol-4-ylmethy l)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]isoleucinamide | C66H103N17O16S

N-{[2-(1-Amino-2-methylbutyl)-4,5-dihydro-1,3-thiazol-4-yl]carbonyl}leucyl-α-glutamyl-N-[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-sec-butyl-6-(carboxymethyl)-9-(4H-imidazol-4-ylmethy l)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]isoleucinamide

  • Molecular FormulaC66H103N17O16S
  • Average mass1422.693 Da
  • Monoisotopic mass1421.748901 Da
  • ChemSpider ID2340874

More details:

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

Isoleucinamide, N-[[2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl]carbonyl]leucyl-α-glutamyl-N-[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-6-(carboxymethyl)-9-(4H-imidazol-4-ylmethyl)-15-(1-met hylpropyl)-2,5,8,11,14,17,20-heptaoxo-12-(phenylmethyl)-1,4,7,10,13,16,19-heptaazacyclopentacos-21-yl]- [ACD/Index Name]
N-{[2-(1-Amino-2-methylbutyl)-4,5-dihydro-1,3-thiazol-4-yl]carbonyl}leucyl-α-glutamyl-N-[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-sec-butyl-6-(carboxymethyl)-9-(4H-imidazol-4-ylmethy l)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]isoleucinamid [German] [ACD/IUPAC Name]
N-{[2-(1-Amino-2-methylbutyl)-4,5-dihydro-1,3-thiazol-4-yl]carbonyl}leucyl-α-glutamyl-N-[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-sec-butyl-6-(carboxymethyl)-9-(4H-imidazol-4-ylmethy l)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]isoleucinamide [ACD/IUPAC Name]
N-{[2-(1-Amino-2-méthylbutyl)-4,5-dihydro-1,3-thiazol-4-yl]carbonyl}leucyl-α-glutamyl-N-[3-(2-amino-2-oxoéthyl)-18-(3-aminopropyl)-12-benzyl-15-sec-butyl-6-(carboxyméthyl)-9-(4H-imidazol-4-ylméthy l)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]isoleucinamide [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: 1.655
Molar Refractivity: 365.0±0.5 cm3
#H bond acceptors: 33
#H bond donors: 19
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: -1.85
ACD/LogD (pH 5.5): -6.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 552 Å2
Polarizability: 144.7±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 994.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement