ChemSpider 2D Image | 3-(1H-Imidazol-2-ylmethyl)-N-{[(2S)-5-oxo-2-pyrrolidinyl]carbonyl}-N-{[(2S)-1-pentyl-2-pyrrolidinyl]carbonyl}-L-histidinamide | C25H36N8O4

3-(1H-Imidazol-2-ylmethyl)-N-{[(2S)-5-oxo-2-pyrrolidinyl]carbonyl}-N-{[(2S)-1-pentyl-2-pyrrolidinyl]carbonyl}-L-histidinamide

  • Molecular FormulaC25H36N8O4
  • Average mass512.604 Da
  • Monoisotopic mass512.285950 Da
  • ChemSpider ID129744

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Imidazole-5-propanamide, α-amino-1-(1H-imidazol-2-ylmethyl)-N-[[(2S)-5-oxo-2-pyrrolidinyl]carbonyl]-N-[[(2S)-1-pentyl-2-pyrrolidinyl]carbonyl]-, (αS)- [ACD/Index Name]
3-(1H-Imidazol-2-ylmethyl)-N-{[(2S)-5-oxo-2-pyrrolidinyl]carbonyl}-N-{[(2S)-1-pentyl-2-pyrrolidinyl]carbonyl}-L-histidinamid [German] [ACD/IUPAC Name]
3-(1H-Imidazol-2-ylmethyl)-N-{[(2S)-5-oxo-2-pyrrolidinyl]carbonyl}-N-{[(2S)-1-pentyl-2-pyrrolidinyl]carbonyl}-L-histidinamide [ACD/IUPAC Name]
3-(1H-Imidazol-2-ylméthyl)-N-{[(2S)-5-oxo-2-pyrrolidinyl]carbonyl}-N-{[(2S)-1-pentyl-2-pyrrolidinyl]carbonyl}-L-histidinamide [French] [ACD/IUPAC Name]
(2S)-N-[(2S)-2-AMINO-3-[3-(1H-IMIDAZOL-2-YLMETHYL)IMIDAZOL-4-YL]PROPANOYL]-5-OXO-N-[(2S)-1-PENTYLPYRROLIDINE-2-CARBONYL]PYRROLIDINE-2-CARBOXAMIDE
107810-09-3 [RN]
Pimhpp
Pyr-(N3-Im-methyl)-his-pro-NH-(n-pentyl)
Pyroglutamyl-((N3)-imidazolylmethyl)-histidyl-n-amylprolinamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.693
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -2.81
ACD/LogD (pH 5.5): -5.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 62.8±7.0 dyne/cm
Molar Volume: 356.7±7.0 cm3

Click to predict properties on the Chemicalize site


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