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

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Properties Simple | Detailed

Formula C24H29N9O5
IUPAC Name n-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-1-ium-5-ylium-3-yl]carbamoyl]-1-methyl-pyrrol-1-ium-5-ylium-3-yl]-1-methyl-4-[[(2s)-oxirane-2-carbonyl]amino]pyrrole-2-carboxamide
Molecular Mass 523.544 g·mol−1
Heat of Formation -316.4 ± 16.7 kJ·mol−1
Dipole Moment 10.04 ± 1.08 D
Volume 603.0 Å 3
Surface Area 543.0 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • n-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[[(2s)-oxiran-2-yl]carbonylamino]pyrrole-2-carboxamide
  • n-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[[(2s)-oxirane-2-carbonyl]amino]pyrrole-2-carboxamide
  • n-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[[(2s)-oxirane-2-carbonyl]amino]pyrrole-2-carboxamide
  • n-[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-1-methyl-4-[[[(2s)-2-oxiranyl]-oxomethyl]amino]-2-pyrrolecarboxamide
InChIKey VSWLTXYUTUABJB-IBGZPJMESA-N
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