ChemSpider 2D Image | (2S)-N-[(1R)-3-{[(Benzyloxy)carbonyl]amino}-1-carboxypropyl]-4-methyl-1-{[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-3-phenyl-2-propanyl]amino}-1-oxo-2-pentanaminium | C33H48N5O7

(2S)-N-[(1R)-3-{[(Benzyloxy)carbonyl]amino}-1-carboxypropyl]-4-methyl-1-{[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-3-phenyl-2-propanyl]amino}-1-oxo-2-pentanaminium

  • Molecular FormulaC33H48N5O7
  • Average mass626.763 Da
  • Monoisotopic mass626.354797 Da
  • ChemSpider ID392637

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-N-[(1R)-3-{[(Benzyloxy)carbonyl]amino}-1-carboxypropyl]-4-methyl-1-{[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-3-phenyl-2-propanyl]amino}-1-oxo-2-pentanaminium [German] [ACD/IUPAC Name]
(2S)-N-[(1R)-3-{[(Benzyloxy)carbonyl]amino}-1-carboxypropyl]-4-methyl-1-{[(2S)-1-{[2-(4-morpholinyl)ethyl]amino}-1-oxo-3-phenyl-2-propanyl]amino}-1-oxo-2-pentanaminium [ACD/IUPAC Name]
(2S)-N-[(1R)-3-{[(Benzyloxy)carbonyl]amino}-1-carboxypropyl]-4-méthyl-1-{[(2S)-1-{[2-(4-morpholinyl)éthyl]amino}-1-oxo-3-phényl-2-propanyl]amino}-1-oxo-2-pentanaminium [French] [ACD/IUPAC Name]
2-Pentanaminium, N-[(1R)-1-carboxy-3-[[(phenylmethoxy)carbonyl]amino]propyl]-4-methyl-1-[[(1S)-2-[[2-(4-morpholinyl)ethyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]-1-oxo-, (2S)- [ACD/Index Name]

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

Density:
Boiling Point: 895.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.4±3.0 kJ/mol
Flash Point: 495.4±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 4.14
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.26
Polar Surface Area: 163 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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