(3S,6S,9S,12S,15S)-6-Benzyl-3,9,15-Triisobutyl-12-Isopropyl-10-Methyl-1-Oxa-4,7,10,13-Tetraazacyclopentadecane-2,5,8,11,14-Pentone

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Properties Simple | Detailed

Formula C33H52N4O6
IUPAC Name (3s,6s,9s,12s,15s)-6-benzyl-3,9,15-triisobutyl-12-isopropyl-10-methyl-1-oxa-4,7,10,13-tetrazacyclopentadecane-2,5,8,11,14-pentone
Molecular Mass 600.789 g·mol−1
Heat of Formation -1332.1 ± 16.7 kJ·mol−1
Dipole Moment 3.74 ± 1.08 D
Volume 790.96 Å 3
Surface Area 582.42 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s,9s,12s,15s)-10-methyl-3,9,15-tris(2-methylpropyl)-6-(phenylmethyl)-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclopentadecane-2,5,8,11,14-pentone
  • (3s,6s,9s,12s,15s)-3,9,15-triisobutyl-12-isopropyl-10-methyl-6-(phenylmethyl)-1-oxa-4,7,10,13-tetrazacyclopentadecane-2,5,8,11,14-pentone
  • (3s,6s,9s,12s,15s)-6-(benzyl)-3,9,15-triisobutyl-12-isopropyl-10-methyl-1-oxa-4,7,10,13-tetrazacyclopentadecane-2,5,8,11,14-pentone
  • 1-oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11,14-pentone, 10-methyl-12-(1-methylethyl)-3,9,15-tris(2-methylpropyl)-6-(phenylmethyl)-, (3s,6s,9s,12s,15s)-
  • 6-benzyl-3,9,15-triisobutyl-12-isopropyl-10-methyl-1-oxa-4,7,10,13-tetraaza-cyclopentadecane-2,5,8,11,14-pentaone
  • n-methylsansalvamide
  • rel-(3r,6r,9r,12r,15r)-6-benzyl-3,9,15-triisobutyl-12-isopropyl-10-methyl-1-oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11,14-pentone
InChIKey YMJKISFVUDJIHL-XLIKFSOKSA-N
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