ChemSpider 2D Image | N-Acetyl-L-tyrosyl-L-valyl-N-[(1Z,2S)-1-(carbamoylhydrazono)-3-carboxy-2-propanyl]-L-alaninamide | C24H35N7O8

N-Acetyl-L-tyrosyl-L-valyl-N-[(1Z,2S)-1-(carbamoylhydrazono)-3-carboxy-2-propanyl]-L-alaninamide

  • Molecular FormulaC24H35N7O8
  • Average mass549.577 Da
  • Monoisotopic mass549.254700 Da
  • ChemSpider ID23168089

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-[(1S,2Z)-2-[2-(aminocarbonyl)hydrazinylidene]-1-(carboxymethyl)ethyl]- [ACD/Index Name]
N-acetyl-L-tyrosyl-L-valyl-N-[(1Z,2S)-1-(2-carbamoylhydrazinylidene)-3-carboxypropan-2-yl]-L-alaninamide
N-Acetyl-L-tyrosyl-L-valyl-N-[(1Z,2S)-1-(carbamoylhydrazono)-3-carboxy-2-propanyl]-L-alaninamid [German] [ACD/IUPAC Name]
N-Acetyl-L-tyrosyl-L-valyl-N-[(1Z,2S)-1-(carbamoylhydrazono)-3-carboxy-2-propanyl]-L-alaninamide [ACD/IUPAC Name]
N-Acétyl-L-tyrosyl-L-valyl-N-[(1Z,2S)-1-(carbamoylhydrazono)-3-carboxy-2-propanyl]-L-alaninamide [French] [ACD/IUPAC Name]
3-((S)-2-{(S)-2-[(S)-2-((S)-Acetylamino)-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-1-oxo-butylamino}-propionylamino)-4-(aminocarbonyl-hydrazono)-butyric 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 136.9±0.5 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.06
ACD/LogD (pH 5.5): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 241 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 389.6±7.0 cm3

Click to predict properties on the Chemicalize site


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