ChemSpider 2D Image | N-(Isobutoxycarbonyl)-beta-alanyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamide | C37H49N7O9S

N-(Isobutoxycarbonyl)-β-alanyl-L-tryptophyl-L-methionyl-L-α-aspartyl-L-phenylalaninamide

  • Molecular FormulaC37H49N7O9S
  • Average mass767.891 Da
  • Monoisotopic mass767.331238 Da
  • ChemSpider ID392037

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(2-methylpropoxy)carbonyl]-β-alanyl-L-tryptophyl-L-methionyl-L-α-aspartyl- [ACD/Index Name]
N-(Isobutoxycarbonyl)-β-alanyl-L-tryptophyl-L-methionyl-L-α-asparagyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-(Isobutoxycarbonyl)-β-alanyl-L-tryptophyl-L-methionyl-L-α-aspartyl-L-phenylalaninamide [ACD/IUPAC Name]
N-(Isobutoxycarbonyl)-β-alanyl-L-tryptophyl-L-méthionyl-L-α-aspartyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
(3S)-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-[(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-(3-{[(2-methylpropoxy)carbonyl]amino}propanamido)propanamido]-4-(methylsulfanyl)butanamido]propanoic acid
(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-(2-methylpropoxycarbonylamino)propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
AY-6608
AY-6608|ICI-50123|Peptavlon®
ICI-50123
Peptavlon
More...

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

D01631 [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: 1201.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 186.7±3.0 kJ/mol
Flash Point: 680.5±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 202.6±0.3 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 19.29
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 276 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 589.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement