ChemSpider 2D Image | Diamino-N-[(4S)-5-[(2R,4R)-2-carboxy-4-methyl-1-piperidinyl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydro-8-quinolinyl]sulfonyl}amino)-5-oxopentyl]methaniminium | C23H37N6O5S

Diamino-N-[(4S)-5-[(2R,4R)-2-carboxy-4-methyl-1-piperidinyl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydro-8-quinolinyl]sulfonyl}amino)-5-oxopentyl]methaniminium

  • Molecular FormulaC23H37N6O5S
  • Average mass509.642 Da
  • Monoisotopic mass509.254059 Da
  • ChemSpider ID393071

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Piperidinepentanaminium, 2-carboxy-N-(diaminomethylene)-4-methyl-ε-oxo-δ-[[[(3R)-1,2,3,4-tetrahydro-3-methyl-8-quinolinyl]sulfonyl]amino]-, (δS,2R,4R)- [ACD/Index Name]
Diamino-N-[(4S)-5-[(2R,4R)-2-carboxy-4-methyl-1-piperidinyl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydro-8-chinolinyl]sulfonyl}amino)-5-oxopentyl]methaniminium [German] [ACD/IUPAC Name]
Diamino-N-[(4S)-5-[(2R,4R)-2-carboxy-4-méthyl-1-pipéridinyl]-4-({[(3R)-3-méthyl-1,2,3,4-tétrahydro-8-quinoléinyl]sulfonyl}amino)-5-oxopentyl]méthaniminium [French] [ACD/IUPAC Name]
Diamino-N-[(4S)-5-[(2R,4R)-2-carboxy-4-methyl-1-piperidinyl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydro-8-quinolinyl]sulfonyl}amino)-5-oxopentyl]methaniminium [ACD/IUPAC Name]

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

Density:
Boiling Point: 801.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 438.4±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.56
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement