ChemSpider 2D Image | Ethyl O-benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosylalanylglycinate | C28H37N3O7

Ethyl O-benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosylalanylglycinate

  • Molecular FormulaC28H37N3O7
  • Average mass527.609 Da
  • Monoisotopic mass527.263123 Da
  • ChemSpider ID2357684

More details:

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

Ethyl O-benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosylalanylglycinate [ACD/IUPAC Name]
EthylO-benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}tyrosylalanylglycinat [German] [ACD/IUPAC Name]
Glycine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)tyrosylalanyl-, ethyl ester [ACD/Index Name]
O-Benzyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}tyrosylalanylglycinate d'éthyle [French] [ACD/IUPAC Name]
ETHYL 2-(2-{3-[4-(BENZYLOXY)PHENYL]-2-[(TERT-BUTOXYCARBONYL)AMINO]PROPANAMIDO}PROPANAMIDO)ACETATE
ETHYL 2-(2-{3-[4-(BENZYLOXY)PHENYL]-2-{[(TERT-BUTOXY)CARBONYL]AMINO}PROPANAMIDO}PROPANAMIDO)ACETATE

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

BAS 00380286 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 750.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.5±32.9 °C
Index of Refraction: 1.541
Molar Refractivity: 141.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 330.61
ACD/KOC (pH 5.5): 2212.75
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 330.49
ACD/KOC (pH 7.4): 2211.93
Polar Surface Area: 132 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 450.0±3.0 cm3

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