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Search term: 9908676 (Found by CSID)
ChemSpider 2D Image | Tyropeptin A | C28H37N3O6

Tyropeptin A

  • Molecular FormulaC28H37N3O6
  • Average mass511.610 Da
  • Monoisotopic mass511.268250 Da
  • ChemSpider ID9908676

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

Tyropeptin A
L-Valinamide, N-(3-methyl-1-oxobutyl)-L-tyrosyl-N-[1-formyl-2-(4-hydroxyphenyl)ethyl]- [ACD/Index Name]
N-(3-Methylbutanoyl)-L-tyrosyl-N-[1-(4-hydroxyphenyl)-3-oxo-2-propanyl]-L-valinamid [German] [ACD/IUPAC Name]
N-(3-Methylbutanoyl)-L-tyrosyl-N-[1-(4-hydroxyphenyl)-3-oxo-2-propanyl]-L-valinamide [ACD/IUPAC Name]
N-(3-Méthylbutanoyl)-L-tyrosyl-N-[1-(4-hydroxyphényl)-3-oxo-2-propanyl]-L-valinamide [French] [ACD/IUPAC Name]
N-(3-methylbutanoyl)-L-tyrosyl-N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-L-valinamide
(S)-N-[1-(4-Hydroxy-benzyl)-2-oxo-ethyl]-2-[(S)-3-(4-hydroxy-phenyl)-2-(3-methyl-butyrylamino)-propionylamino]-3-methyl-butyramide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL368042/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 850.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.8±3.0 kJ/mol
Flash Point: 468.1±34.3 °C
Index of Refraction: 1.567
Molar Refractivity: 139.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.33
ACD/KOC (pH 5.5): 654.84
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 59.90
ACD/KOC (pH 7.4): 650.05
Polar Surface Area: 145 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 427.9±3.0 cm3

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