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Search term: 10250990 (Found by CSID)
ChemSpider 2D Image | bistratamide G | C25H32N6O5S

bistratamide G

  • Molecular FormulaC25H32N6O5S
  • Average mass528.624 Da
  • Monoisotopic mass528.215515 Da
  • ChemSpider ID10250990

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
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(4S,11S,18S)-4,11,18-Triisopropyl-7-methyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaen-2,9,16-trion [German] [ACD/IUPAC Name]
(4S,11S,18S)-4,11,18-Triisopropyl-7-methyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione [ACD/IUPAC Name]
(4S,11S,18S)-4,11,18-Triisopropyl-7-méthyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatétracyclo[17.2.1.15,8.112,15]tétracosa-1(21),5(24),7,12(23),14,19(22)-hexaène-2,9,16-trione [French] [ACD/IUPAC Name]
6,13-Dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),7,12(23),14,19(22),21-hexaene-2,9,16-trione, 7-methyl-4,11,18-tris(1-methylethyl)-, (4S,11S,18S)- [ACD/Index Name]
bistratamide G
(4S,11S,18S)-7-methyl-4,11,18-tri(propan-2-yl)-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1(5,8).1(12,15)12,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL496043/
  • Miscellaneous

    • Chemical Class:

      A homodetic cyclic peptide that consists of <stereo>L</stereo>-valine as the amino acid residue. It is isolated from <ital>Lissoclinum bistratum</ital> and exhibits antitumour activity against the hum an colon tumour cell line. ChEBI CHEBI:65506
      A homodetic cyclic peptide that consists of L-valine as the amino acid residue. It is isolated from Lissoclinum bistratum and exhibits antitumour activity against the human colon tumour cell line. ChEBI CHEBI:65506

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

Density: 1.2±0.1 g/cm3
Boiling Point: 844.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.7±3.0 kJ/mol
Flash Point: 464.6±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.25
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.50
ACD/KOC (pH 5.5): 66.96
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.50
ACD/KOC (pH 7.4): 66.96
Polar Surface Area: 180 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 440.5±3.0 cm3

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