ChemSpider 2D Image | N-{[(2S,3S)-3-(Benzylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-proline | C22H29N3O6

N-{[(2S,3S)-3-(Benzylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-proline

  • Molecular FormulaC22H29N3O6
  • Average mass431.482 Da
  • Monoisotopic mass431.205627 Da
  • ChemSpider ID25056628

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Proline, N-[[(2S,3S)-3-[[(phenylmethyl)amino]carbonyl]oxiranyl]carbonyl]-L-isoleucyl- [ACD/Index Name]
N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE
N-{[(2S,3S)-3-(Benzylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-prolin [German] [ACD/IUPAC Name]
N-{[(2S,3S)-3-(Benzylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-proline [ACD/IUPAC Name]
N-{[(2S,3S)-3-(Benzylcarbamoyl)-2-oxiranyl]carbonyl}-L-isoleucyl-L-proline [French] [ACD/IUPAC Name]
(2S)-1-[(2S,3S)-2-{[(2S,3S)-3-(benzylcarbamoyl)oxiran-2-yl]formamido}-3-methylpentanoyl]pyrrolidine-2-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 794.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 434.5±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 330.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement