(6R,11As,19As)-6-Benzyldodecahydro-5H,11H-Dipyrrolo[2,1-C:2',1'-I][1,4,7,10,13]Thiatetraazacyclopentadecine-5,8,16,19(9H)-Tetrone

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Formula C23H30N4O4S
IUPAC Name (6r,11as,19as)-6-benzyldodecahydro-5h,11h-dipyrrolo[2,1-c:2',1'-i][1,4,7,10,13]thiatetraazacyclopentadecine-5,8,16,19(9h)-tetrone
Molecular Mass 458.574 g·mol−1
Heat of Formation -637.1 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 548.12 Å 3
Surface Area 419.35 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • cyclo(gly-pro-psi(ch2s)-gly-phe-pro)
  • cyclo(glycyl-prolyl-psi(ch2s)-glycyl-phenylalanyl-prolyl)
  • cyclo(gp-p(ch2s)-gfp)
CAS Number(s)
  • 99781-72-3
InChIKey RNWWSUSCMPZMOH-OTWHNJEPSA-N
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