ChemSpider 2D Image | N-(4-Carboxybutanoyl)-L-alpha-aspartyl-L-valyl-N-[(2S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]amino}-1-oxo-2-butanyl]-L-valinamide | C26H43N5O11S

N-(4-Carboxybutanoyl)-L-α-aspartyl-L-valyl-N-[(2S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]amino}-1-oxo-2-butanyl]-L-valinamide

  • Molecular FormulaC26H43N5O11S
  • Average mass633.711 Da
  • Monoisotopic mass633.268005 Da
  • ChemSpider ID430903
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

L-Valinamide, N-(4-carboxy-1-oxobutyl)-L-α-aspartyl-L-valyl-N-[(1S)-1-[[[(1R)-1-carboxy-2-mercaptoethyl]amino]carbonyl]propyl]- [ACD/Index Name]
N-(4-Carboxybutanoyl)-L-α-asparagyl-L-valyl-N-[(2S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]amino}-1-oxo-2-butanyl]-L-valinamid [German] [ACD/IUPAC Name]
N-(4-Carboxybutanoyl)-L-α-aspartyl-L-valyl-N-[(2S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]amino}-1-oxo-2-butanyl]-L-valinamide [ACD/IUPAC Name]
N-(4-Carboxybutanoyl)-L-α-aspartyl-L-valyl-N-[(2S)-1-{[(1R)-1-carboxy-2-sulfanyléthyl]amino}-1-oxo-2-butanyl]-L-valinamide [French] [ACD/IUPAC Name]
Glut-Asp-Val-Val-Abu-Cys-OH

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

AIDS121514 [DBID]
AIDS-121514 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 1080.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 171.7±6.0 kJ/mol
Flash Point: 607.3±34.3 °C
Index of Refraction: 1.539
Molar Refractivity: 152.9±0.3 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -4.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 296 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 488.0±3.0 cm3

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