ChemSpider 2D Image | N~2~-[(3-{[N-(tert-butoxycarbonyl)phenylalanyl-3-(4H-imidazol-4-yl)alanyl]amino}-4-cyclohexyl-2-hydroxybutyl)(propan-2-yl)carbamoyl]lysylphenylalanine | C49H73N9O9

N2-[(3-{[N-(tert-butoxycarbonyl)phenylalanyl-3-(4H-imidazol-4-yl)alanyl]amino}-4-cyclohexyl-2-hydroxybutyl)(propan-2-yl)carbamoyl]lysylphenylalanine

  • Molecular FormulaC49H73N9O9
  • Average mass932.159 Da
  • Monoisotopic mass931.553101 Da
  • ChemSpider ID114138

More details:

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

N2-[(3-{[N-(tert-butoxycarbonyl)phenylalanyl-3-(4H-imidazol-4-yl)alanyl]amino}-4-cyclohexyl-2-hydroxybutyl)(propan-2-yl)carbamoyl]lysylphenylalanine
N2-[(4-Cyclohexyl-2-hydroxy-3-{[N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalanyl-3-(4H-imidazol-4-yl)alanyl]amino}butyl)(isopropyl)carbamoyl]lysylphenylalanin [German] [ACD/IUPAC Name]
N2-[(4-Cyclohexyl-2-hydroxy-3-{[N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalanyl-3-(4H-imidazol-4-yl)alanyl]amino}butyl)(isopropyl)carbamoyl]lysylphenylalanine [ACD/IUPAC Name]
N2-[(4-Cyclohexyl-2-hydroxy-3-{[N-{[(2-méthyl-2-propanyl)oxy]carbonyl}phénylalanyl-3-(4H-imidazol-4-yl)alanyl]amino}butyl)(isopropyl)carbamoyl]lysylphénylalanine [French] [ACD/IUPAC Name]
Phenylalanine, N2-[5-(cyclohexylmethyl)-4-hydroxy-8-(4H-imidazol-4-ylmethyl)-15,15-dimethyl-2-(1-methylethyl)-1,7,10,13-tetraoxo-11-(phenylmethyl)-14-oxa-2,6,9,12-tetraazahexadec-1-yl]lysyl- [ACD/Index Name]
105116-61-8 [RN]
2-[6-Amino-2-(3-{3-[2-(2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-3-(4H-imidazol-4-yl)-propionylamino]-4-cyclohexyl-2-hydroxy-butyl}-3-isopropyl-ureido)-hexanoylamino]-3-phenyl-propionic acid
CP-69,799
CP-69799

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

CP 69799 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 253.3±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 4
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 1.41
ACD/KOC (pH 5.5): 5.40
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 6.82
ACD/KOC (pH 7.4): 26.04
Polar Surface Area: 266 Å2
Polarizability: 100.4±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 730.5±7.0 cm3

Click to predict properties on the Chemicalize site


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