ChemSpider 2D Image | N-{[(1S)-1-(2-Amino-3,4,5,6-tetrahydro-4-pyrimidinyl)-2-({(2S)-4-methyl-1-oxo-1-[(1-oxo-3-phenyl-2-propanyl)amino]-2-pentanyl}amino)-2-oxoethyl]carbamoyl}-D-phenylalanine | C31H41N7O6

N-{[(1S)-1-(2-Amino-3,4,5,6-tetrahydro-4-pyrimidinyl)-2-({(2S)-4-methyl-1-oxo-1-[(1-oxo-3-phenyl-2-propanyl)amino]-2-pentanyl}amino)-2-oxoethyl]carbamoyl}-D-phenylalanine

  • Molecular FormulaC31H41N7O6
  • Average mass607.701 Da
  • Monoisotopic mass607.311829 Da
  • ChemSpider ID13085396

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

D-Phenylalanine, N-[[[(1S)-1-(2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl)-2-[[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-3-methylbutyl]amino]-2-oxoethyl]amino]carbonyl]- [ACD/Index Name]
N-{[(1S)-1-(2-Amino-3,4,5,6-tetrahydro-4-pyrimidinyl)-2-({(2S)-4-methyl-1-oxo-1-[(1-oxo-3-phenyl-2-propanyl)amino]-2-pentanyl}amino)-2-oxoethyl]carbamoyl}-D-phenylalanin [German] [ACD/IUPAC Name]
N-{[(1S)-1-(2-Amino-3,4,5,6-tetrahydro-4-pyrimidinyl)-2-({(2S)-4-methyl-1-oxo-1-[(1-oxo-3-phenyl-2-propanyl)amino]-2-pentanyl}amino)-2-oxoethyl]carbamoyl}-D-phenylalanine [ACD/IUPAC Name]
N-{[(1S)-1-(2-Amino-3,4,5,6-tétrahydro-4-pyrimidinyl)-2-({(2S)-4-méthyl-1-oxo-1-[(1-oxo-3-phényl-2-propanyl)amino]-2-pentanyl}amino)-2-oxoéthyl]carbamoyl}-D-phénylalanine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 162.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.59
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 452.0±7.0 cm3

Click to predict properties on the Chemicalize site


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