ChemSpider 2D Image | Nalpha-Methyl-Nalpha-(3-methylbutyl)-N-[(2S)-2-{[(2-phenyl-1H-imidazol-5-yl)carbonyl]amino}propanoyl]-D-tryptophanamide | C30H36N6O3

Nα-Methyl-Nα-(3-methylbutyl)-N-[(2S)-2-{[(2-phenyl-1H-imidazol-5-yl)carbonyl]amino}propanoyl]-D-tryptophanamide

  • Molecular FormulaC30H36N6O3
  • Average mass528.645 Da
  • Monoisotopic mass528.284912 Da
  • ChemSpider ID4590901
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1H-Indole-3-propanamide, α-[methyl(3-methylbutyl)amino]-N-[(2S)-1-oxo-2-[[(2-phenyl-1H-imidazol-5-yl)carbonyl]amino]propyl]-, (αR)- [ACD/Index Name]
Nα-Methyl-Nα-(3-methylbutyl)-N-[(2S)-2-{[(2-phenyl-1H-imidazol-5-yl)carbonyl]amino}propanoyl]-D-tryptophanamid [German] [ACD/IUPAC Name]
Nα-Methyl-Nα-(3-methylbutyl)-N-[(2S)-2-{[(2-phenyl-1H-imidazol-5-yl)carbonyl]amino}propanoyl]-D-tryptophanamide [ACD/IUPAC Name]
Nα-Méthyl-Nα-(3-méthylbutyl)-N-[(2S)-2-{[(2-phényl-1H-imidazol-5-yl)carbonyl]amino}propanoyl]-D-tryptophaneamide [French] [ACD/IUPAC Name]
(2S)-N-[(2R)-3-(1H-INDOL-3-YL)-2-[METHYL(3-METHYLBUTYL)AMINO]PROPANOYL]-2-[(2-PHENYL-3H-IMIDAZOL-4-YL)FORMAMIDO]PROPANAMIDE
150351-90-9 [RN]
D-Tryptophanamide,N-[(2-phenyl-1H-imidazol-4-yl)carbonyl]-L-alanyl-N-methyl-N-(3-methylbutyl)-(9CI)
GR 112,000

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

GR 112000 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 839.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 461.6±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 152.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 14.24
ACD/KOC (pH 5.5): 87.00
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 325.03
ACD/KOC (pH 7.4): 1985.80
Polar Surface Area: 123 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 432.8±3.0 cm3

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