ChemSpider 2D Image | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE | C14H23N3O6S

D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE

  • Molecular FormulaC14H23N3O6S
  • Average mass361.414 Da
  • Monoisotopic mass361.130768 Da
  • ChemSpider ID26329766

  • 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-D-ISODEHYDROVALINE
L-Lysine, N6-[(1R)-2-[[(1S)-1-carboxy-2-methyl-2-propen-1-yl]amino]-1-(mercaptomethyl)-2-oxoethyl]-6-oxo- [ACD/Index Name]
N6-[(2R)-1-{[(1S)-1-Carboxy-2-methyl-2-propen-1-yl]amino}-1-oxo-3-sulfanyl-2-propanyl]-6-oxo-L-lysin [German] [ACD/IUPAC Name]
N6-[(2R)-1-{[(1S)-1-Carboxy-2-methyl-2-propen-1-yl]amino}-1-oxo-3-sulfanyl-2-propanyl]-6-oxo-L-lysine [ACD/IUPAC Name]
N6-[(2R)-1-{[(1S)-1-Carboxy-2-méthyl-2-propén-1-yl]amino}-1-oxo-3-sulfanyl-2-propanyl]-6-oxo-L-lysine [French] [ACD/IUPAC Name]
(2S)-2-amino-5-{[(1R)-1-{[(1S)-1-carboxy-2-methylprop-2-en-1-yl]carbamoyl}-2-sulfanylethyl]carbamoyl}pentanoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 737.9±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: 1.555
Molar Refractivity: 88.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -3.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 274.5±3.0 cm3

Click to predict properties on the Chemicalize site


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