ChemSpider 2D Image | Enalkiren | C35H56N6O6

Enalkiren

  • Molecular FormulaC35H56N6O6
  • Average mass656.856 Da
  • Monoisotopic mass656.426147 Da
  • ChemSpider ID54622

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S-(1R*,2S*,3R*))-N-(3-Amino-3-methyl-1-oxobutyl)-O-methyl-L-tyrosyl-N-(1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)-L-histidinamide
(aS)-a-((aS)-a-(3-Amino-3-methylbutyramido)-p-methoxyhydrocinnamamido)-N-((1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)imidazole-4-propionamide
0U7YZ42Z47
113082-98-7 [RN]
Enalkiren [USAN]
L-Histidinamide, N-(3-amino-3-methyl-1-oxobutyl)-O-methyl-L-tyrosyl-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]- [ACD/Index Name]
N-(3-Amino-3-methylbutanoyl)-O-methyl-L-tyrosyl-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl]-L-histidinamid [German] [ACD/IUPAC Name]
N-(3-Amino-3-methylbutanoyl)-O-methyl-L-tyrosyl-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl]-L-histidinamide [ACD/IUPAC Name]
N-(3-Amino-3-méthylbutanoyl)-O-méthyl-L-tyrosyl-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-méthyl-2-heptanyl]-L-histidinamide [French] [ACD/IUPAC Name]
N-(3-Amino-3-methylbutanoyl)-O-methyl-L-tyrosyl-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-L-histidinamide
More...

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

6469 [DBID]
A 64662 [DBID]
A-64662 [DBID]
C07466 [DBID]
D03738 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 986.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.6±3.0 kJ/mol
Flash Point: 550.3±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 181.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 3.52
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 13.81
Polar Surface Area: 192 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 560.4±3.0 cm3

Click to predict properties on the Chemicalize site


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