ChemSpider 2D Image | N-{[(2S)-1-(L-Tyrosyl)-2-pyrrolidinyl]methyl}-L-phenylalanyl-L-prolylglycine | C30H39N5O6

N-{[(2S)-1-(L-Tyrosyl)-2-pyrrolidinyl]methyl}-L-phenylalanyl-L-prolylglycine

  • Molecular FormulaC30H39N5O6
  • Average mass565.661 Da
  • Monoisotopic mass565.290039 Da
  • ChemSpider ID116738

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Glycine, N-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]methyl]-L-phenylalanyl-L-prolyl- [ACD/Index Name]
N-{[(2S)-1-(L-Tyrosyl)-2-pyrrolidinyl]methyl}-L-phenylalanyl-L-prolylglycin [German] [ACD/IUPAC Name]
N-{[(2S)-1-(L-Tyrosyl)-2-pyrrolidinyl]methyl}-L-phenylalanyl-L-prolylglycine [ACD/IUPAC Name]
N-{[(2S)-1-(L-Tyrosyl)-2-pyrrolidinyl]méthyl}-L-phénylalanyl-L-prolylglycine [French] [ACD/IUPAC Name]
{[(2S)-1-[(2S)-2-({[(2S)-1-[(2S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPANOYL]PYRROLIDIN-2-YL]METHYL}AMINO)-3-PHENYLPROPANOYL]PYRROLIDIN-2-YL]FORMAMIDO}ACETIC ACID
138474-03-0 [RN]
CM 2-3
Glycine, N-(1-(N-((1-(2-amino-3-(4-hydroxyphenyl)-1-oxopropyl)-2-pyrrolidinyl)methyl)-L-phenylalanyl)-L-prolyl)-, (S-(R*,R*))-
Tyrosyl-prolyl-ψ(methylamino)-phenylalanyl-prolyl-glycine
Tyr-pro-ψ(CH2-NH)-phe-pro-gly

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

Density: 1.3±0.1 g/cm3
Boiling Point: 908.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.4±3.0 kJ/mol
Flash Point: 503.3±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 151.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.22
ACD/LogD (pH 5.5): -2.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 431.9±3.0 cm3

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