(2S)-N-[3-(3-Carbamimidamidopropyl)-5-(1H-Indol-3-Yl)-2-Pyrazinyl]-2-Methylbutanamide

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Properties Simple | Detailed

Formula C21H27N7O
IUPAC Name (2s)-n-[3-(3-guanidinopropyl)-5-indol-1-ium-3-yl-pyrazin-2-yl]-2-methyl-butanamide
Molecular Mass 393.485 g·mol−1
Heat of Formation 132.4 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 490.93 Å 3
Surface Area 408.74 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[3-(3-guanidinopropyl)-5-(1h-indol-3-yl)-2-pyrazinyl]-2-methylbutanamide
  • (2s)-n-[3-(3-guanidinopropyl)-5-(1h-indol-3-yl)pyrazin-2-yl]-2-methyl-butanamide
  • (2s)-n-[3-(3-guanidinopropyl)-5-(1h-indol-3-yl)pyrazin-2-yl]-2-methyl-butyramide
  • (2s)-n-[3-[3-(diaminomethylideneamino)propyl]-5-(1h-indol-3-yl)pyrazin-2-yl]-2-methyl-butanamide
  • (2s)-n-[3-[3-(diaminomethylideneamino)propyl]-5-(1h-indol-3-yl)pyrazin-2-yl]-2-methylbutanamide
  • 1-(3-{6-(1h-indol-3-yl)-3-[(2s)-2-methylbutanamido]pyrazin-2-yl}propyl)guanidine
  • oxidized cypridina luciferin
InChIKey PSYJEEMZZIZTSR-ZDUSSCGKSA-N
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