Cas no 136398-54-4 (2,4,6-Heptatrienamide,7-[(1S,2R,6R)-4-[[(2E,4E)-5-cyclohexyl-1-oxo-2,4-pentadien-1-yl]amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-,(2E,4E,6E)-)

2,4,6-Heptatrienamide,7-[(1S,2R,6R)-4-[[(2E,4E)-5-cyclohexyl-1-oxo-2,4-pentadien-1-yl]amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-,(2E,4E,6E)- structure
136398-54-4 structure
Product Name:2,4,6-Heptatrienamide,7-[(1S,2R,6R)-4-[[(2E,4E)-5-cyclohexyl-1-oxo-2,4-pentadien-1-yl]amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-,(2E,4E,6E)-
CAS No:136398-54-4
MF:C29H32N2O7
MW:520.573588371277
CID:152518
PubChem ID:6439399
Update Time:2025-04-19

2,4,6-Heptatrienamide,7-[(1S,2R,6R)-4-[[(2E,4E)-5-cyclohexyl-1-oxo-2,4-pentadien-1-yl]amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-,(2E,4E,6E)- Chemical and Physical Properties

Names and Identifiers

    • 2,4,6-Heptatrienamide,7-[(1S,2R,6R)-4-[[(2E,4E)-5-cyclohexyl-1-oxo-2,4-pentadien-1-yl]amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-,(2E,4E,6E)-
    • (2E,4E,6E)-7-[3-[[(2E,4E)-5-cyclohexylpenta-2,4-dienoyl]amino]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]-N-(2-hydroxy-5-oxocyclopenten-1-yl)hepta-2,4,6-trienamide
    • 2,4,6-Heptatrienamide,7-[(1S,2R,6R)-4-[[(2E,4E)-5-cyclohexyl-1-oxo-2,4-pentadien-1-yl]amino]-2...
    • 2,4,6-Heptatrienamide,7-[(1S,2R,6R)-4-[[(2E,4E)-5-cyclohexyl-1-oxo-2,4-pentadien-1-yl]amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1
    • alisamycin
    • (2E,4E,6E)-7-(4-{[(2E,4E)-5-cyclohexylpenta-2,4-dienoyl]amino}-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]he
    • 2,4,6-Heptatrienamide, 7-(4-((5-cyclohexyl-1-oxo-2,4-pentadienyl)amino)-2-hydroxy-5-oxo-7-oxabicyclo(4.1.0)hept-3-en-2-yl)-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-
    • 2,4,6-Heptatrienamide, 7-(4-((5-cyclohexyl-1-oxo-2,4-pentadienyl)amino)-2-hydroxy-5-oxo-7-oxobicyclo(4.2.0)hept-3-en-2-yl)-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-
    • 136398-54-4
    • (2E,4E,6E)-7-[4-[[(2E,4E)-5-Cyclohexylpenta-2,4-dienoyl]amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxocyclopenten-1-yl)hepta-2,4,6-trienamide
    • (-)-Alisamycin
    • Inchi： 1S/C29H32N2O7/c32-21-15-16-22(33)25(21)31-24(35)13-6-1-2-9-17-29(37)18-20(26(36)27-28(29)38-27)30-23(34)14-8-7-12-19-10-4-3-5-11-19/h1-2,6-9,12-14,17-19,27-28,32,37H,3-5,10-11,15-16H2,(H,30,34)(H,31,35)/b2-1+,12-7+,13-6+,14-8+,17-9+
    • InChI Key： JNNCGBMBOYDZEW-CXNWBYPBSA-N
    • SMILES： O1C2C(C(=CC(/C=C/C=C/C=C/C(NC3C(CCC=3O)=O)=O)(C12)O)NC(/C=C/C=C/C1CCCCC1)=O)=O

Computed Properties

  • Exact Mass: 520.220951
  • Monoisotopic Mass: 520.220951
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 9
  • Complexity: 1200
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 5
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 145
  • XLogP3: 2.9

Experimental Properties

  • Density: 1.34
  • Boiling Point: 891.7°Cat760mmHg
  • Flash Point: 493.1°C
  • Refractive Index: 1.642

2,4,6-Heptatrienamide,7-[(1S,2R,6R)-4-[[(2E,4E)-5-cyclohexyl-1-oxo-2,4-pentadien-1-yl]amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-,(2E,4E,6E)- Related Literature

Related Categories

136398-54-4 (2,4,6-Heptatrienamide,7-[(1S,2R,6R)-4-[[(2E,4E)-5-cyclohexyl-1-oxo-2,4-pentadien-1-yl]amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-,(2E,4E,6E)-) Related Products

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