ChemSpider 2D Image | N-Acetyl-2-methylalanylalanyl-2-methylalanylalanyl-2-methylalanylalanylglutaminyl-2-methylalanylvalyl-2-methylalanylglycylleucyl-2-methylalanylprolylvalyl-2-methylalanyl-N-{1,10-diamino-7-[(1-hydroxy- 3-phenyl-2-propanyl)carbamoyl]-1,5,10-trioxo-4-decanyl}-2-methylalaninamide | C91H150N22O24

N-Acetyl-2-methylalanylalanyl-2-methylalanylalanyl-2-methylalanylalanylglutaminyl-2-methylalanylvalyl-2-methylalanylglycylleucyl-2-methylalanylprolylvalyl-2-methylalanyl-N-{1,10-diamino-7-[(1-hydroxy- 3-phenyl-2-propanyl)carbamoyl]-1,5,10-trioxo-4-decanyl}-2-methylalaninamide

  • Molecular FormulaC91H150N22O24
  • Average mass1936.298 Da
  • Monoisotopic mass1935.119385 Da
  • ChemSpider ID78444795

More details:

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

Alaninamide, N-acetyl-2-methylalanylalanyl-2-methylalanylalanyl-2-methylalanylalanylglutaminyl-2-methylalanylvalyl-2-methylalanylglycylleucyl-2-methylalanylprolylvalyl-2-methylalanyl-N-[7-amino-1-(3-a mino-3-oxopropyl)-4-[[[2-hydroxy-1-(phenylmethyl)ethyl]amino]carbonyl]-2,7-dioxoheptyl]-2-methyl- [ACD/Index Name]
N-Acetyl-2-methylalanylalanyl-2-methylalanylalanyl-2-methylalanylalanylglutaminyl-2-methylalanylvalyl-2-methylalanylglycylleucyl-2-methylalanylprolylvalyl-2-methylalanyl-N-{1,10-diamino-7-[(1-hydroxy- 3-phenyl-2-propanyl)carbamoyl]-1,5,10-trioxo-4-decanyl}-2-methylalaninamid [German] [ACD/IUPAC Name]
N-Acetyl-2-methylalanylalanyl-2-methylalanylalanyl-2-methylalanylalanylglutaminyl-2-methylalanylvalyl-2-methylalanylglycylleucyl-2-methylalanylprolylvalyl-2-methylalanyl-N-{1,10-diamino-7-[(1-hydroxy- 3-phenyl-2-propanyl)carbamoyl]-1,5,10-trioxo-4-decanyl}-2-methylalaninamide [ACD/IUPAC Name]
N-Acétyl-2-méthylalanylalanyl-2-méthylalanylalanyl-2-méthylalanylalanylglutaminyl-2-méthylalanylvalyl-2-méthylalanylglycylleucyl-2-méthylalanylprolylvalyl-2-méthylalanyl-N-{1,10-diamino-7-[(1-hydroxy- 3-phényl-2-propanyl)carbamoyl]-1,5,10-trioxo-4-décanyl}-2-méthylalaninamide [French] [ACD/IUPAC Name]
MTC A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 2083.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 368.2±3.0 kJ/mol
Flash Point: 1213.8±34.3 °C
Index of Refraction: 1.541
Molar Refractivity: 498.3±0.3 cm3
#H bond acceptors: 46
#H bond donors: 25
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 3
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -3.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 711 Å2
Polarizability: 197.5±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 1586.0±3.0 cm3

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