(2E)-N-[(3S,7S,10S)-3-Isobutyl-7-Methyl-2,5,6,9-Tetraoxo-1,4,8-Triazacyclotridecan-10-Yl]-6-Methyl-2-Heptenamide

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Properties Simple | Detailed

Formula C23H38N4O5
IUPAC Name (e)-n-[(3s,7s,10s)-3-isobutyl-7-methyl-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]-6-methyl-hept-2-enamide
Molecular Mass 450.572 g·mol−1
Heat of Formation -1055.5 ± 16.7 kJ·mol−1
Dipole Moment 0.77 ± 1.08 D
Volume 577.95 Å 3
Surface Area 479.93 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-6-methyl-n-[(3s,7s,10s)-7-methyl-3-(2-methylpropyl)-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]hept-2-enamide
  • (e)-n-[(3s,7s,10s)-3-isobutyl-2,5,6,9-tetraketo-7-methyl-1,4,8-triazacyclotridec-10-yl]-6-methyl-hept-2-enamide
  • (e)-n-[(3s,7s,10s)-3-isobutyl-7-methyl-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]-6-methyl-hept-2-enamide
  • (e)-n-[(3s,7s,10s)-3-isobutyl-7-methyl-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]-6-methylhept-2-enamide
  • 2-heptenamide, 6-methyl-n-(7-methyl-3-(2-methylpropyl)-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl)-, (3s-(3r*,7r*,10r*(e)))-
  • bu 4164e-a
  • eurystatin a
CAS Number(s)
  • 137563-63-4
InChIKey LUORGXVDSLVJSV-FTDILOGSSA-N
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