(2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3E,5S,8S,10S)-10-Hydroxy-5-Methyl-2,7-Dioxo-1,6-Diazacyclododec-3-En-8-Yl]Amino}-1-Oxo-2-Butanyl]-2,4-Dodecadienamide

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Properties Simple | Detailed

Formula C27H44N4O6
IUPAC Name (2e,4e)-n-[(1s,2r)-2-hydroxy-1-[[(3e,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]dodeca-2,4-dienamide
Molecular Mass 520.661 g·mol−1
Heat of Formation -1218.3 ± 16.7 kJ·mol−1
Dipole Moment 7.75 ± 1.08 D
Volume 655.57 Å 3
Surface Area 552.01 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e)-n-[(1s,2r)-2-hydroxy-1-[[(3e,5s,8s,10s)-10-hydroxy-2,7-diketo-5-methyl-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]dodeca-2,4-dienamide
  • (2e,4e)-n-[(1s,2r)-2-hydroxy-1-[[(3e,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]dodeca-2,4-dienamide
  • (2e,4e)-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]-oxomethyl]propyl]dodeca-2,4-dienamide
  • (2e,4e)-n-[(2s,3r)-3-hydroxy-1-[[(3e,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxo-butan-2-yl]dodeca-2,4-dienamide
  • (2e,4e)-n-[(2s,3r)-3-hydroxy-1-[[(3e,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
InChIKey TYGJUQYJMIOZLZ-HXSKNMNHSA-N
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