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

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Properties Simple | Detailed

Formula C18H27N10O3
IUPAC Name [1-azaniumylidene-3-[[4-[[4-[(2-guanidinoacetyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-2h-pyrrol-1-ium-2-ylium-3-carbonyl]amino]propyl]azanide
Molecular Mass 431.472 g·mol−1
Heat of Formation -187.0 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 507.28 Å 3
Surface Area 459.31 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 1438-30-8 (dihydrochloride salt)
  • n-[4-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-4-[(2-guanidinoacetyl)amino]-1-methyl-pyrrole-2-carboxamide
  • n-[4-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-4-[2-(diaminomethylideneamino)ethanoylamino]-1-methyl-pyrrole-2-carboxamide
  • n-[4-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carboxamide
  • n-[4-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]-4-[(2-guanidino-1-oxoethyl)amino]-1-methyl-2-pyrrolecarboxamide
InChIKey FEILMVGZFWHKPV-UHFFFAOYSA-N
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