ChemSpider 2D Image | N-{[2-(1-Amino-2-methylbutyl)-4,5-dihydro-1,3-thiazol-4-yl]carbonyl}leucyl-5-oxidanidyl-5-oxidanylidenenorvalyl-N-[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-sec-butyl-6-(carboxylatomethyl
)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]isoleucinamide | C66H101N17O16S

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

  • Molecular FormulaC66H101N17O16S
  • Average mass1420.678 Da
  • Monoisotopic mass1419.734375 Da
  • ChemSpider ID3409918
  • Charge - Charge


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-(1H-imidazol-5-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]-, ion(2-) [ACD/Index Name]
N-{[2-(1-Amino-2-methylbutyl)-4,5-dihydro-1,3-thiazol-4-yl]carbonyl}leucyl-5-oxidanidyl-5-oxidanylidenenorvalyl-N-[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-sec-butyl-6-(carboxylatomethyl )-9-(1H-imidazol-5-ylmethyl)-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-5-oxydanidyl-5-oxydanylidènenorvalyl-N-[3-(2-amino-2-oxoéthyl)-18-(3-aminopropyl)-12-benzyl-15-sec-butyl-6-(carboxylatométhyl )-9-(1H-imidazol-5-ylméthyl)-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

Density:
Boiling Point: 1755.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 294.4±3.0 kJ/mol
Flash Point: 1015.5±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 33
#H bond donors: 20
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: -2.21
ACD/LogD (pH 5.5): -6.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 562 Å2
Polarizability:
Surface Tension:
Molar Volume:

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