2-{4-[(2S,5S)-5-(4-Ethoxybenzyl)-3,6-Dioxo-2-Piperazinyl]Butyl}Guanidine

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Properties Simple | Detailed

Formula C18H27N5O3
IUPAC Name 2-[4-[(2s,5s)-5-[(4-ethoxyphenyl)methyl]-3,6-dioxo-piperazin-2-yl]butyl]guanidine
Molecular Mass 361.439 g·mol−1
Heat of Formation -446.3 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 445.15 Å 3
Surface Area 412.96 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(2s,5s)-5-(4-ethoxybenzyl)-3,6-diketo-piperazin-2-yl]butyl]guanidine
  • 2-[4-[(2s,5s)-5-[(4-ethoxyphenyl)methyl]-3,6-dioxo-2-piperazinyl]butyl]guanidine
  • 2-[4-[(2s,5s)-5-[(4-ethoxyphenyl)methyl]-3,6-dioxo-piperazin-2-yl]butyl]guanidine
  • 2-[4-[(2s,5s)-5-[(4-ethoxyphenyl)methyl]-3,6-dioxopiperazin-2-yl]butyl]guanidine
  • cyclo(et-tyr-har)
  • cyclo(ethyltyrosylhomoarginyl)
  • guanidine, (4-(5-((4-ethoxyphenyl)methyl)-3,6-dioxo-2-piperazinyl)butyl)-, (2s-cis)-
CAS Number(s)
  • 85676-05-7
InChIKey GDBFARSBSODITO-GJZGRUSLSA-N
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