(2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3Z,5R,8S,10S)-10-Hydroxy-5-(Hydroxymethyl)-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 C27H44N4O7
IUPAC Name (2e,4e)-n-[(1s,2r)-2-hydroxy-1-[[(3z,5r,8s,10s)-10-hydroxy-5-(hydroxymethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]dodeca-2,4-dienamide
Molecular Mass 536.661 g·mol−1
Heat of Formation -1313.7 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 677.51 Å 3
Surface Area 580.77 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e)-n-[(1s,2r)-2-hydroxy-1-[[(3z,5r,8s,10s)-10-hydroxy-2,7-diketo-5-methylol-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]dodeca-2,4-dienamide
  • (2e,4e)-n-[(1s,2r)-2-hydroxy-1-[[(3z,5r,8s,10s)-10-hydroxy-5-(hydroxymethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]dodeca-2,4-dienamide
  • (2e,4e)-n-[(1s,2r)-2-hydroxy-1-[[[(3z,5r,8s,10s)-10-hydroxy-5-(hydroxymethyl)-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-[[(3z,5r,8s,10s)-10-hydroxy-5-(hydroxymethyl)-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-[[(3z,5r,8s,10s)-10-hydroxy-5-(hydroxymethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]dodeca-2,4-dienamide
  • 2,4-dodecadienamide, n-(2-hydroxy-1-(((10-hydroxy-5-(hydroxymethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl)amino)carbonyl)propyl)-, (5r-(3e,5r*,8s*(1s*(2e,4e),2r*),10s*))-
  • glidobactin g
CAS Number(s)
  • 119259-71-1
InChIKey IHONJNBUCZLUOS-FIGNABQDSA-N
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