ChemSpider 2D Image | N-{[(1S)-1-[(4S)-2-Amino-3,4,5,6-tetrahydro-4-pyrimidinyl]-2-{[(2S)-1-{[(2S)-1-hydroxy-3-phenyl-2-propanyl]amino}-4-methyl-1-oxo-2-pentanyl]amino}-2-oxoethyl]carbamoyl}-L-phenylalanine | C31H43N7O6

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

  • Molecular FormulaC31H43N7O6
  • Average mass609.716 Da
  • Monoisotopic mass609.327454 Da
  • ChemSpider ID394251

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

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

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

CCRIS 8681 [DBID]

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: 9
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 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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