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Search term: 1076199-61-5 (Found by synonym)
ChemSpider 2D Image | Methyl 3-(2-{2-[2-(2-{[N-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-({3-[(2-methyl-2-propanyl)oxy]-3-oxopropyl}amino)-3-oxoalanyl]amino}ethoxy)ethoxy]ethoxy}ethoxy)benzoate | C31H49N3O12

Methyl 3-(2-{2-[2-(2-{[N-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-({3-[(2-methyl-2-propanyl)oxy]-3-oxopropyl}amino)-3-oxoalanyl]amino}ethoxy)ethoxy]ethoxy}ethoxy)benzoate

  • Molecular FormulaC31H49N3O12
  • Average mass655.734 Da
  • Monoisotopic mass655.331604 Da
  • ChemSpider ID21896604

More details:

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

3-(2-{2-[2-(2-{[N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-3-({3-[(2-méthyl-2-propanyl)oxy]-3-oxopropyl}amino)-3-oxoalanyl]amino}éthoxy)éthoxy]éthoxy}éthoxy)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[14-[[(1,1-dimethylethoxy)carbonyl]amino]-21,21-dimethyl-13,15,19-trioxo-3,6,9,20-tetraoxa-12,16-diazadocos-1-yl]oxy]-, methyl ester [ACD/Index Name]
Methyl 3-(2-{2-[2-(2-{[N-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-({3-[(2-methyl-2-propanyl)oxy]-3-oxopropyl}amino)-3-oxoalanyl]amino}ethoxy)ethoxy]ethoxy}ethoxy)benzoate [ACD/IUPAC Name]
Methyl-3-(2-{2-[2-(2-{[N-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-({3-[(2-methyl-2-propanyl)oxy]-3-oxopropyl}amino)-3-oxoalanyl]amino}ethoxy)ethoxy]ethoxy}ethoxy)benzoat [German] [ACD/IUPAC Name]
1076199-61-5 [RN]
METHYL 3-[2-(2-{2-[2-(2-{[3-(TERT-BUTOXY)-3-OXOPROPYL]CARBAMOYL}-2-[(TERT-BUTOXYCARBONYL)AMINO]ACETAMIDO)ETHOXY]ETHOXY}ETHOXY)ETHOXY]BENZOATE
methyl 3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-3-oxopropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
tert-Butyl 14-((tert-butoxycarbonyl)amino)-1-(3-(methoxycarbonyl)phenoxy)-13,15-dioxo-3,6,9-trioxa-12,16-diazanonadecan-19-oate
tert-Butyl 14-(N-Boc-amino)-1-[3-(methoxycarbonyl)phenoxy]-13,15-dioxo-3,6,9-trioxa- 12,16-diazanona
tert-Butyl 14-(N-Boc-amino)-1-[3-(methoxycarbonyl)phenoxy]-13,15-dioxo-3,6,9-trioxa- 12,16-diazanonadecan-19-oate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 808.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 117.5±3.0 kJ/mol
    Flash Point: 442.6±34.3 °C
    Index of Refraction: 1.503
    Molar Refractivity: 166.1±0.3 cm3
    #H bond acceptors: 15
    #H bond donors: 3
    #Freely Rotating Bonds: 25
    #Rule of 5 Violations: 2
    ACD/LogP: 2.65
    ACD/LogD (pH 5.5): 2.00
    ACD/BCF (pH 5.5): 19.33
    ACD/KOC (pH 5.5): 289.95
    ACD/LogD (pH 7.4): 1.98
    ACD/BCF (pH 7.4): 18.74
    ACD/KOC (pH 7.4): 281.06
    Polar Surface Area: 186 Å2
    Polarizability: 65.9±0.5 10-24cm3
    Surface Tension: 42.5±3.0 dyne/cm
    Molar Volume: 561.7±3.0 cm3

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