ChemSpider 2D Image | N-[(1S)-1-[[2-(ethylamino)-4-methyl-pentanoyl]carbamoyl]-3-methyl-butyl]-2-(1-hydroxy-2-sulfanyl-ethyl)-5-phenyl-pentanamide | C27H45N3O4S

N-[(1S)-1-[[2-(ethylamino)-4-methyl-pentanoyl]carbamoyl]-3-methyl-butyl]-2-(1-hydroxy-2-sulfanyl-ethyl)-5-phenyl-pentanamide

  • Molecular FormulaC27H45N3O4S
  • Average mass507.729 Da
  • Monoisotopic mass507.313080 Da
  • ChemSpider ID23114880

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

2-(Ethylamino)-N-[(2S)-2-{[2-(1-hydroxy-2-sulfanylethyl)-5-phenylpentanoyl]amino}-4-methylpentanoyl]-4-methylpentanamid [German] [ACD/IUPAC Name]
2-(Éthylamino)-N-[(2S)-2-{[2-(1-hydroxy-2-sulfanyléthyl)-5-phénylpentanoyl]amino}-4-méthylpentanoyl]-4-méthylpentanamide [French] [ACD/IUPAC Name]
2-(ethylamino)-N-[(2S)-2-{[2-(1-hydroxy-2-sulfanylethyl)-5-phenylpentanoyl]amino}-4-methylpentanoyl]-4-methylpentanamide (non-preferred name) [ACD/IUPAC Name]
2-Ethylamino-4-methyl-pentanoic acid {(S)-2-[2-(1-hydroxy-2-mercapto-ethyl)-5-phenyl-pentanoylamino]-4-methyl-pentanoyl}-amide
benzenepentanamide, N-[(1S)-1-[[[2-(ethylamino)-4-methyl-1-oxopentyl]amino]carbonyl]-3-methylbutyl]-α-(1-hydroxy-2-mercaptoethyl)- [ACD/Index Name]
CHEMBL273762

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

Density: 1.1±0.1 g/cm3
Boiling Point: 694.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 373.9±31.5 °C
Index of Refraction: 1.528
Molar Refractivity: 143.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 4.52
ACD/KOC (pH 5.5): 32.18
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 148.45
ACD/KOC (pH 7.4): 1056.63
Polar Surface Area: 146 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 467.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement