Cas no 108351-50-4 (2,4-Dodecadienamide,N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-,(2E,4E)-)

2,4-Dodecadienamide,N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-,(2E,4E)- structure
108351-50-4 structure
Product Name:2,4-Dodecadienamide,N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-,(2E,4E)-
CAS No:108351-50-4
MF:C27H44N4O6
MW:520.661467552185
CID:165896
PubChem ID:6439229
Update Time:2025-04-19

2,4-Dodecadienamide,N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-,(2E,4E)- Chemical and Physical Properties

Names and Identifiers

    • 2,4-Dodecadienamide,N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-,(2E,4E)-
    • (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]dodeca-2,4-dienamide
    • 2,4-Dodecadienamide,N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amin
    • Glidobactin A
    • 2,4-Dodecadienamide, N-(2-hydroxy-1-(((10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl)amino)carbonyl)propyl)-, (5S-(3E,5R*,8R*(1R*(2E,4E),2S*),10R*))-
    • 2,4-Dodecadienamide, N-(2-hydroxy-1-(((10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl)amino)carbonyl)propyl)-, hemihydrate (5S-(3E,5R*,8R*(1R*(2E,4E),2S*),10R*))-
    • BU-2867TA
    • Glidbactin A
    • Cepafungin II
    • Antibiotic BU-2867TA
    • (2E,4E)-N-[(1S,2R)-2-Hydroxy-1-[[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododeca-3-en]-8-yl]amino]carbonyl]propyl]-2,4-dodecadienamide
    • 108351-50-4
    • CHEBI:222014
    • Glidobactin
    • BU 2867TA
    • Inchi： 1S/C27H44N4O6/c1-4-5-6-7-8-9-10-11-12-13-24(35)31-25(20(3)32)27(37)30-22-18-21(33)16-17-28-23(34)15-14-19(2)29-26(22)36/h10-15,19-22,25,32-33H,4-9,16-18H2,1-3H3,(H,28,34)(H,29,36)(H,30,37)(H,31,35)/b11-10+,13-12+,15-14-/t19-,20+,21-,22-,25-/m0/s1
    • InChI Key： TYGJUQYJMIOZLZ-QQXADAIISA-N
    • SMILES： O[C@H]1CCNC(C=C[C@H](C)NC([C@H](C1)NC([C@H]([C@@H](C)O)NC(/C=C/C=C/CCCCCCC)=O)=O)=O)=O |c:6|

Computed Properties

  • Exact Mass: 520.326085
  • Monoisotopic Mass: 520.326085
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 12
  • Complexity: 826
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 3
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 60
  • XLogP3: 3.1
  • Topological Polar Surface Area: 157

Experimental Properties

  • Density: 1.16
  • Boiling Point: 892.9°Cat760mmHg
  • Flash Point: 493.8°C
  • Refractive Index: 1.552

2,4-Dodecadienamide,N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-,(2E,4E)- Related Literature

Related Categories

108351-50-4 (2,4-Dodecadienamide,N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-,(2E,4E)-) Related Products

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