N-(5-{[(3Z)-3-Amino-3-Iminopropyl]Carbamoyl}-1-Methyl-1H-Pyrrol-3-Yl)-4-{[N-(Diaminomethylene)Glycyl]Amino}-1-Methyl-1H-Imidazole-2-Carboxamide

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Properties Simple | Detailed

Formula C17H25N11O3
IUPAC Name n-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-1-ium-3-ylium-3-yl]-5-[(2-guanidinoacetyl)amino]-3-methyl-4h-imidazol-3-ium-4-ylium-2-carboxamide
Molecular Mass 431.452 g·mol−1
Heat of Formation -171.9 ± 16.7 kJ·mol−1
Dipole Moment 6.02 ± 1.08 D
Volume 495.48 Å 3
Surface Area 453.01 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-2-carboxamide, 4-[[[(aminoiminomethyl)amino]acetyl]amino]-n-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1h-pyrrol-3-yl]-1-methyl-
  • ilt
  • n-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-4-[(2-guanidinoacetyl)amino]-1-methyl-imidazole-2-carboxamide
  • n-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-4-[2-(diaminomethylideneamino)ethanoylamino]-1-methyl-imidazole-2-carboxamide
  • n-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylimidazole-2-carboxamide
  • n-[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]-4-[(2-guanidino-1-oxoethyl)amino]-1-methyl-2-imidazolecarboxamide
InChIKey ZQZPBVXTGJJHBD-UHFFFAOYSA-N
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