ChemSpider 2D Image | N-{[(4S)-1-Isopropyl-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}-D-histidyl-D-prolinamide | C19H27N7O5

N-{[(4S)-1-Isopropyl-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}-D-histidyl-D-prolinamide

  • Molecular FormulaC19H27N7O5
  • Average mass433.462 Da
  • Monoisotopic mass433.207367 Da
  • ChemSpider ID23159129

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-Prolinamide, N-[[(4S)-hexahydro-1-(1-methylethyl)-2,6-dioxo-4-pyrimidinyl]carbonyl]-D-histidyl- [ACD/Index Name]
N-{[(4S)-1-Isopropyl-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}-D-histidyl-D-prolinamid [German] [ACD/IUPAC Name]
N-{[(4S)-1-Isopropyl-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}-D-histidyl-D-prolinamide [ACD/IUPAC Name]
N-{[(4S)-1-Isopropyl-2,6-dioxohexahydro-4-pyrimidinyl]carbonyl}-D-histidyl-D-prolinamide [French] [ACD/IUPAC Name]
N-{[(4S)-2,6-dioxo-1-(propan-2-yl)hexahydropyrimidin-4-yl]carbonyl}-D-histidyl-D-prolinamide
(S)-1-Isopropyl-2,6-dioxo-hexahydro-pyrimidine-4-carboxylic acid [2-(2-carbamoyl-pyrrolidin-1-yl)-1-(3H-imidazol-4-ylmethyl)-2-oxo-ethyl]-amide

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: 1.598
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -3.21
ACD/LogD (pH 5.5): -2.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.03
Polar Surface Area: 171 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 312.3±3.0 cm3

Click to predict properties on the Chemicalize site


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