4-({[(2S)-5-Amino-3,4-Dihydro-2H-Pyrrol-2-Yl]Carbonyl}Amino)-N-[(3Z)-3-Amino-3-Iminopropyl]-1-Methyl-1H-Pyrrole-2-Carboxamide

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Properties Simple | Detailed

Formula C14H21N7O2
IUPAC Name 4-[[(2s)-5-amino-3,4-dihydro-2h-pyrrole-2-carbonyl]amino]-n-(3-amino-3-imino-propyl)-1-methyl-pyrrol-1-ium-2-ylium-2-carboxamide
Molecular Mass 319.362 g·mol−1
Heat of Formation -118.1 ± 16.7 kJ·mol−1
Dipole Moment 9.71 ± 1.08 D
Volume 385.42 Å 3
Surface Area 351.63 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-(-)-dihydrokikumycin b
  • 1h-pyrrole-2-carboxamide, 4-(((5-amino-3,4-dihydro-2h-pyrrol-2-yl)carbonyl)amino)-n-(3-amino-3-iminopropyl)-1-methyl-, (s)-
  • 4-[[(2s)-5-amino-3,4-dihydro-2h-pyrrol-2-yl]carbonylamino]-n-(3-amino-3-imino-propyl)-1-methyl-pyrrole-2-carboxamide
  • 4-[[(2s)-5-amino3,4-dihydro-2h-pyrrole-2-carbonyl]amino]-n-(3-amino-3-imino-propyl)-1-methyl-pyrrole-2-carboxamide
  • 4-[[(2s)-5-amino3,4-dihydro-2h-pyrrole-2-carbonyl]amino]-n-(3-amino-3-iminopropyl)-1-methylpyrrole-2-carboxamide
  • 4-[[[(2s)-5-amino-3,4-dihydro-2h-pyrrol-2-yl]-oxomethyl]amino]-n-(3-amino-3-iminopropyl)-1-methyl-2-pyrrolecarboxamide
  • dihydrokikumycin b
  • n-(3-amino-3-imino-propyl)-4-[[(2s)-5-amino1-pyrroline-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxamide
  • {5-[((5s)-2-amino(1-pyrrolin-5-yl))carbonylamino]-1-methylpyrrol-2-yl}-n-(2-amidinoethyl)carboxamide
CAS Number(s)
  • 47307-17-5
InChIKey JUMUOZAQBGYHOE-VIFPVBQESA-N
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