ChemSpider 2D Image | N-{[(6-Oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-methionyl-beta-alanine | C23H28N2O7S

N-{[(6-Oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-methionyl-β-alanine

  • Molecular FormulaC23H28N2O7S
  • Average mass476.543 Da
  • Monoisotopic mass476.161713 Da
  • ChemSpider ID21830738

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-{[(6-Oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-methionyl-β-alanin [German] [ACD/IUPAC Name]
N-{[(6-Oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-methionyl-β-alanine [ACD/IUPAC Name]
N-{2-[(6-Oxo-7,8,9,10-tétrahydro-6H-benzo[c]chromén-3-yl)oxy]acétyl}-L-méthionyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[2-[(7,8,9,10-tetrahydro-6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl]-L-methionyl- [ACD/Index Name]
(S)-3-(4-(methylthio)-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)butanamido)propanoic acid
1112913-73-1 [RN]
3-{(2S)-4-methylthio-2-[2-(6-oxo(7,8,9,10-tetrahydrobenzo[1,2-c]chromen-3-yloxy))acetylamino]butanoylamino}propanoic acid
3-{4-Methylsulfanyl-2-[2-(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yloxy)-acetylamino]-butyrylamino}-propionic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 867.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.1±3.0 kJ/mol
Flash Point: 478.5±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 2.10
ACD/KOC (pH 5.5): 23.95
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 348.8±5.0 cm3

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