ChemSpider 2D Image | Lugdunin | C40H62N8O6S

Lugdunin

  • Molecular FormulaC40H62N8O6S
  • Average mass783.035 Da
  • Monoisotopic mass782.451294 Da
  • ChemSpider ID57427231

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1R,4R,7S,10R,13S,16R,19S)-7-(1H-Indol-3-ylmethyl)-10-isobutyl-4,13,16,19-tetraisopropyl-21-thia-3,6,9,12,15,18,23-heptaazabicyclo[18.2.1]tricosan-2,5,8,11,14,17-hexon [German] [ACD/IUPAC Name]
(1R,4R,7S,10R,13S,16R,19S)-7-(1H-Indol-3-ylmethyl)-10-isobutyl-4,13,16,19-tetraisopropyl-21-thia-3,6,9,12,15,18,23-heptaazabicyclo[18.2.1]tricosane-2,5,8,11,14,17-hexone [ACD/IUPAC Name]
(1R,4R,7S,10R,13S,16R,19S)-7-(1H-Indol-3-ylméthyl)-10-isobutyl-4,13,16,19-tétraisopropyl-21-thia-3,6,9,12,15,18,23-heptaazabicyclo[18.2.1]tricosane-2,5,8,11,14,17-hexone [French] [ACD/IUPAC Name]
(1R,4R,7S,10R,13S,16R,19S,20R)-7-(1H-Indol-3-ylmethyl)-10-isobutyl-4,13,16,19-tetraisopropyl-21-thia-3,6,9,12,15,18,23-heptaazabicyclo[18.2.1]tricosan-2,5,8,11,14,17-hexon [German] [ACD/IUPAC Name]
(1R,4R,7S,10R,13S,16R,19S,20R)-7-(1H-Indol-3-ylmethyl)-10-isobutyl-4,13,16,19-tetraisopropyl-21-thia-3,6,9,12,15,18,23-heptaazabicyclo[18.2.1]tricosane-2,5,8,11,14,17-hexone [ACD/IUPAC Name]
(1R,4R,7S,10R,13S,16R,19S,20R)-7-(1H-Indol-3-ylméthyl)-10-isobutyl-4,13,16,19-tétraisopropyl-21-thia-3,6,9,12,15,18,23-heptaazabicyclo[18.2.1]tricosane-2,5,8,11,14,17-hexone [French] [ACD/IUPAC Name]
(1R,4R,7S,10R,13S,16R,19S,20S)-7-(1H-Indol-3-ylmethyl)-10-isobutyl-4,13,16,19-tetraisopropyl-21-thia-3,6,9,12,15,18,23-heptaazabicyclo[18.2.1]tricosan-2,5,8,11,14,17-hexon [German] [ACD/IUPAC Name]
(1R,4R,7S,10R,13S,16R,19S,20S)-7-(1H-Indol-3-ylmethyl)-10-isobutyl-4,13,16,19-tetraisopropyl-21-thia-3,6,9,12,15,18,23-heptaazabicyclo[18.2.1]tricosane-2,5,8,11,14,17-hexone [ACD/IUPAC Name]
(1R,4R,7S,10R,13S,16R,19S,20S)-7-(1H-Indol-3-ylméthyl)-10-isobutyl-4,13,16,19-tétraisopropyl-21-thia-3,6,9,12,15,18,23-heptaazabicyclo[18.2.1]tricosane-2,5,8,11,14,17-hexone [French] [ACD/IUPAC Name]
21-Thia-3,6,9,12,15,18,23-heptaazabicyclo[18.2.1]tricosane-2,5,8,11,14,17-hexone, 7-(1H-indol-3-ylmethyl)-4,13,16,19-tetrakis(1-methylethyl)-10-(2-methylpropyl)-, (1R,4R,7S,10R,13S,16R,19S)- [ACD/Index Name]
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  • Miscellaneous

    • Chemical Class:

      A thiazolidine-containing homodetic cyclic peptide that is isolated from human nasal bacteria. Exhibits bactericidal activity against many major pathogens including methicillin-resistant <ital>Staphyl ococcus aureus</ital> (MRSA). ChEBI CHEBI:133127
      A thiazolidine-containing homodetic cyclic peptide that is isolated from human nasal bacteria. Exhibits bactericidal activity against many major pathogens including methicillin-resistant Staphyl; ococ cus aureus (MRSA). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:133127
      A thiazolidine-containing homodetic cyclic peptide that is isolated from human nasal bacteria. Exhibits bactericidal activity against many major pathogens including methicillin-resistant Staphylococcu s aureus (MRSA). ChEBI CHEBI:133127

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1129.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 166.9±3.0 kJ/mol
Flash Point: 636.8±34.3 °C
Index of Refraction: 1.518
Molar Refractivity: 215.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 48.10
ACD/KOC (pH 5.5): 490.05
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.67
ACD/KOC (pH 7.4): 760.77
Polar Surface Area: 228 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 709.9±3.0 cm3

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