ChemSpider 2D Image | (E)-N~5~-(Amino{[(4-methylphenyl)sulfonyl]amino}methylene)-N~2~-methyl-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}ornithine | C19H30N4O6S

(E)-N5-(Amino{[(4-methylphenyl)sulfonyl]amino}methylene)-N2-methyl-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}ornithine

  • Molecular FormulaC19H30N4O6S
  • Average mass442.530 Da
  • Monoisotopic mass442.188599 Da
  • ChemSpider ID57480900

More details:

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

(E)-N5-(Amino{[(4-methylphenyl)sulfonyl]amino}methylen)-N2-methyl-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}ornithin [German] [ACD/IUPAC Name]
(E)-N5-(Amino{[(4-methylphenyl)sulfonyl]amino}methylene)-N2-methyl-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}ornithine [ACD/IUPAC Name]
(E)-N5-(Amino{[(4-méthylphényl)sulfonyl]amino}méthylène)-N2-méthyl-N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}ornithine [French] [ACD/IUPAC Name]
Ornithine, N5-[amino[[(4-methylphenyl)sulfonyl]amino]methylene]-N2-[(1,1-dimethylethoxy)carbonyl]-N2-methyl-, (E)- [ACD/Index Name]
108695-16-5 [RN]
136642-84-7 [RN]
5-{[AMINO(4-METHYLBENZENESULFONAMIDO)METHYLIDENE]AMINO}-2-[(TERT-BUTOXYCARBONYL)(METHYL)AMINO]PENTANOIC ACID
Boc-D-Me-Arg(Tos)-OH
BOC-N-ME-ARG(TOS)-OH
Boc-N-Me-D-Arg(Tos)-OH
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 615.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 325.8±34.3 °C
Index of Refraction: 1.565
Molar Refractivity: 112.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.29
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 346.4±7.0 cm3

Click to predict properties on the Chemicalize site


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