ChemSpider 2D Image | (4S)-4-(3-cyclopentylpropanoylamino)-5-[[(1S)-1-[[(1R)-2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3-methyl-butyl]amino]-5-oxo-pentanoic acid | C31H48N4O7S

(4S)-4-(3-cyclopentylpropanoylamino)-5-[[(1S)-1-[[(1R)-2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3-methyl-butyl]amino]-5-oxo-pentanoic acid

  • Molecular FormulaC31H48N4O7S
  • Average mass620.800 Da
  • Monoisotopic mass620.324341 Da
  • ChemSpider ID443139

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Cysteinamide, N-(3-cyclopentyl-1-oxopropyl)-L-a-glutamyl-L-leucyl-N1-[2-(4-methoxyphenyl)ethyl]-

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

AIDS170991 [DBID]
AIDS-170991 [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: 955.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.7±3.0 kJ/mol
Flash Point: 531.7±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 166.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 8.93
ACD/KOC (pH 5.5): 82.34
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.28
Polar Surface Area: 202 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 525.5±3.0 cm3

Click to predict properties on the Chemicalize site


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