ChemSpider 2D Image | D-(L-A-Aminoadipoyl)-L-Cysteinyl-B-Methyl-D-Cyclopropylglycine | C15H25N3O6S

D-(L-A-Aminoadipoyl)-L-Cysteinyl-B-Methyl-D-Cyclopropylglycine

  • Molecular FormulaC15H25N3O6S
  • Average mass375.440 Da
  • Monoisotopic mass375.146393 Da
  • ChemSpider ID25058373
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

D-(L-A-Aminoadipoyl)-L-Cysteinyl-B-Methyl-D-Cyclopropylglycine
L-Lysine, N6-[(1R)-2-[[(R)-carboxy(1-methylcyclopropyl)methyl]amino]-1-(mercaptomethyl)-2-oxoethyl]-6-oxo- [ACD/Index Name]
N6-[(2R)-1-{[(R)-Carboxy(1-methylcyclopropyl)methyl]amino}-1-oxo-3-sulfanyl-2-propanyl]-6-oxo-L-lysin [German] [ACD/IUPAC Name]
N6-[(2R)-1-{[(R)-Carboxy(1-methylcyclopropyl)methyl]amino}-1-oxo-3-sulfanyl-2-propanyl]-6-oxo-L-lysine [ACD/IUPAC Name]
N6-[(2R)-1-{[(R)-Carboxy(1-méthylcyclopropyl)méthyl]amino}-1-oxo-3-sulfanyl-2-propanyl]-6-oxo-L-lysine [French] [ACD/IUPAC Name]
ACW

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 737.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 117.2±6.0 kJ/mol
Flash Point: 400.0±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 91.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -3.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 275.4±3.0 cm3

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