(2E,4E,8E)-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-Oxo-2-Butanyl]-2,4,8-Tetradecatrienamide

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Properties Simple | Detailed

Formula C29H46N4O6
IUPAC Name (2e,4e,8e)-n-[(1s,2r)-2-hydroxy-1-[[(3z,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]tetradeca-2,4,8-trienamide
Molecular Mass 546.699 g·mol−1
Heat of Formation -1117.0 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 717.86 Å 3
Surface Area 554.02 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,8e)-n-[(1s,2r)-2-hydroxy-1-[[(3z,5s,8s,10s)-10-hydroxy-2,7-diketo-5-methyl-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]tetradeca-2,4,8-trienamide
  • (2e,4e,8e)-n-[(1s,2r)-2-hydroxy-1-[[(3z,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]tetradeca-2,4,8-trienamide
  • (2e,4e,8e)-n-[(1s,2r)-2-hydroxy-1-[[[(3z,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-oxomethyl]propyl]tetradeca-2,4,8-trienamide
  • (2e,4e,8e)-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-oxo-butan-2-yl]tetradeca-2,4,8-trienamide
  • (2e,4e,8e)-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]tetradeca-2,4,8-trienamide
  • 2,4,8-tetradecatrienamide, 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,8e),2s*),10r*))-
CAS Number(s)
  • 108351-51-5
InChIKey AZHZGGIJCMPFMJ-AECIEKQISA-N
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