3-[(1-Methyl-5-{[1-Methyl-5-(Propylcarbamoyl)-1H-Pyrrol-3-Yl]Carbamoyl}-1H-Pyrrol-3-Yl)Amino]-3-Oxopropyl Methanesulfonate

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Properties Simple | Detailed

Formula C19H27N5O6S
IUPAC Name [3-[[1-methyl-5-[[1-methyl-5-(propylcarbamoyl)pyrrol-1-ium-5-ylium-3-yl]carbamoyl]pyrrol-1-ium-5-ylium-3-yl]amino]-3-oxo-propyl] methanesulfonate
Molecular Mass 453.513 g·mol−1
Heat of Formation -899.5 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 513.97 Å 3
Surface Area 474.59 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-4-(((1-methyl-4-((3-((methylsulfonyl)oxy)-1-oxopropyl)amino)-1h-pyrrol-2-yl)carbonyl)amino)-n-propyl-1h-pyrrole-2-carboxamide
  • 1h-pyrrole-2-carboxamide, 1-methyl-4-(((1-methyl-4-((3-((methylsulfonyl)oxy)-1-oxopropyl)amino)-1h-pyrrol-2-yl)carbonyl)amino)-n-propyl-
  • [3-[[1-methyl-5-[[1-methyl-5-(propylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]amino]-3-oxo-propyl] methanesulfonate
  • meoso2-(ch2)2-lex
  • methanesulfonic acid [3-[[1-methyl-5-[[[1-methyl-5-(oxo-propylaminomethyl)-3-pyrrolyl]amino]-oxomethyl]-3-pyrrolyl]amino]-3-oxopropyl] ester
  • methanesulfonic acid [3-keto-3-[[1-methyl-5-[[1-methyl-5-(propylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]amino]propyl] ester
CAS Number(s)
  • 148965-72-4
InChIKey OGSZGJBJQIGPFD-UHFFFAOYSA-N
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