ChemSpider 2D Image | L-Tyrosyl-D-alanylglycyl-N-[(2S)-2-(methylamino)-4-(methylsulfanyl)butanoyl]-L-phenylalaninamide | C29H40N6O6S

L-Tyrosyl-D-alanylglycyl-N-[(2S)-2-(methylamino)-4-(methylsulfanyl)butanoyl]-L-phenylalaninamide

  • Molecular FormulaC29H40N6O6S
  • Average mass600.729 Da
  • Monoisotopic mass600.273010 Da
  • ChemSpider ID4588954

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Phenylalaninamide, L-tyrosyl-D-alanylglycyl-N-[(2S)-2-(methylamino)-4-(methylthio)-1-oxobutyl]- [ACD/Index Name]
L-Tyrosyl-D-alanylglycyl-N-[(2S)-2-(methylamino)-4-(methylsulfanyl)butanoyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
L-Tyrosyl-D-alanylglycyl-N-[(2S)-2-(methylamino)-4-(methylsulfanyl)butanoyl]-L-phenylalaninamide [ACD/IUPAC Name]
L-Tyrosyl-D-alanylglycyl-N-[(2S)-2-(méthylamino)-4-(méthylsulfanyl)butanoyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
(2S)-2-{2-[(2R)-2-[(2S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPANAMIDO]PROPANAMIDO]ACETAMIDO}-N-[(2S)-2-(METHYLAMINO)-4-(METHYLSULFANYL)BUTANOYL]-3-PHENYLPROPANAMIDE
(2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]-2-methylamino-4-(methylthio)butanamide
(2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]-2-methylamino-4-(methylthio)butyramide
(2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-2-methylamino-4-methylsulfanylbutanamide
(2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]-2-methylamino-4-methylsulfanyl-butanamide
(2S)-N-[(2S)-2-[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]-2-methylamino-4-methylsulfanyl-butanamide
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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: 975.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.1±3.0 kJ/mol
Flash Point: 544.0±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 161.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.09
ACD/KOC (pH 7.4): 64.85
Polar Surface Area: 217 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 477.8±3.0 cm3

Click to predict properties on the Chemicalize site


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