ChemSpider 2D Image | L-Alanyl-3-{(1S,2S)-2-[({(2R,3S)-3-[(2S)-2-butanyl]-4-oxo-2-oxetanyl}carbonyl)amino]cyclopropyl}-L-alanine | C17H27N3O6

L-Alanyl-3-{(1S,2S)-2-[({(2R,3S)-3-[(2S)-2-butanyl]-4-oxo-2-oxetanyl}carbonyl)amino]cyclopropyl}-L-alanine

  • Molecular FormulaC17H27N3O6
  • Average mass369.413 Da
  • Monoisotopic mass369.189972 Da
  • ChemSpider ID24704887

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

L-Alanine, L-alanyl-3-[(1S,2S)-2-[[[(2R,3S)-3-[(1S)-1-methylpropyl]-4-oxo-2-oxetanyl]carbonyl]amino]cyclopropyl]- [ACD/Index Name]
L-Alanyl-3-{(1S,2S)-2-[({(2R,3S)-3-[(2S)-2-butanyl]-4-oxo-2-oxetanyl}carbonyl)amino]cyclopropyl}-L-alanin [German] [ACD/IUPAC Name]
L-Alanyl-3-{(1S,2S)-2-[({(2R,3S)-3-[(2S)-2-butanyl]-4-oxo-2-oxetanyl}carbonyl)amino]cyclopropyl}-L-alanine [ACD/IUPAC Name]
L-Alanyl-3-{(1S,2S)-2-[({(2R,3S)-3-[(2S)-2-butanyl]-4-oxo-2-oxétanyl}carbonyl)amino]cyclopropyl}-L-alanine [French] [ACD/IUPAC Name]
BELACTOSIN A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL491636/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 111.8±6.0 kJ/mol
Flash Point: 377.6±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -3.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 285.4±5.0 cm3

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