ChemSpider 2D Image | N-Acetyl-L-alanyl-D-gamma-glutamyl-N-{(1R)-1-[(2R)-4-carboxy-5-methylene-5,6-dihydro-2H-1,3-thiazin-2-yl]-2-oxoethyl}-L-lysinamide | C24H36N6O9S

N-Acetyl-L-alanyl-D-γ-glutamyl-N-{(1R)-1-[(2R)-4-carboxy-5-methylene-5,6-dihydro-2H-1,3-thiazin-2-yl]-2-oxoethyl}-L-lysinamide

  • Molecular FormulaC24H36N6O9S
  • Average mass584.642 Da
  • Monoisotopic mass584.226440 Da
  • ChemSpider ID4883418

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(1-{2-[4-(2-ACETYLAMINO-PROPIONYLAMINO)-4-CARBOXY-BUTYRYLAMINO]-6-AMINO-HEXANOYLAMINO}-2-OXO-ETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
L-Lysinamide, N-acetyl-L-alanyl-D-γ-glutamyl-N-[(1R)-1-[(2R)-4-carboxy-5,6-dihydro-5-methylene-2H-1,3-thiazin-2-yl]-2-oxoethyl]- [ACD/Index Name]
N-Acetyl-L-alanyl-D-γ-glutamyl-N-{(1R)-1-[(2R)-4-carboxy-5-methylen-5,6-dihydro-2H-1,3-thiazin-2-yl]-2-oxoethyl}-L-lysinamid [German] [ACD/IUPAC Name]
N-Acetyl-L-alanyl-D-γ-glutamyl-N-{(1R)-1-[(2R)-4-carboxy-5-methylene-5,6-dihydro-2H-1,3-thiazin-2-yl]-2-oxoethyl}-L-lysinamide [ACD/IUPAC Name]
N-Acétyl-L-alanyl-D-γ-glutamyl-N-{(1R)-1-[(2R)-4-carboxy-5-méthylène-5,6-dihydro-2H-1,3-thiazin-2-yl]-2-oxoéthyl}-L-lysinamide [French] [ACD/IUPAC Name]
MXG

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 142.7±0.5 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -1.80
ACD/LogD (pH 5.5): -4.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 272 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 60.9±7.0 dyne/cm
Molar Volume: 397.5±7.0 cm3

Click to predict properties on the Chemicalize site


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