ChemSpider 2D Image | Benzyl N-{[(2S,3S)-3-(propylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-prolinate | C25H35N3O6

Benzyl N-{[(2S,3S)-3-(propylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-prolinate

  • Molecular FormulaC25H35N3O6
  • Average mass473.562 Da
  • Monoisotopic mass473.252594 Da
  • ChemSpider ID18741757
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE
Benzyl N-{[(2S,3S)-3-(propylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-prolinate [ACD/IUPAC Name]
Benzyl-N-{[(2S,3S)-3-(propylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-prolinat [German] [ACD/IUPAC Name]
L-Proline, N-[[(2S,3S)-3-[(propylamino)carbonyl]oxiranyl]carbonyl]-L-isoleucyl-, phenylmethyl ester [ACD/Index Name]
N-{[(2S,3S)-3-(Propylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-prolinate de benzyle [French] [ACD/IUPAC Name]
benzyl (2S)-1-[(2S,3S)-3-methyl-2-{[(2S,3S)-3-(propylcarbamoyl)oxiran-2-yl]formamido}pentanoyl]pyrrolidine-2-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 735.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 398.8±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 124.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.35
ACD/KOC (pH 5.5): 279.35
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.35
ACD/KOC (pH 7.4): 279.35
Polar Surface Area: 117 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 388.5±3.0 cm3

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