Netropsin

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Formula C18H26N10O3
IUPAC Name n-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-4-[(2-guanidinoacetyl)amino]-1-methyl-pyrrole-2-carboxamide
Molecular Mass 430.464 g·mol−1
Heat of Formation -182.2 ± 16.7 kJ·mol−1
Dipole Moment 10.14 ± 1.08 D
Volume 505.51 Å 3
Surface Area 457.45 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole-2-carboxamide, 4-((((aminoiminomethyl)amino)acetyl)amino)-n-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1h-pyrrol-3-yl)-1-methyl-
  • 2814-a
  • antibiotic 1142
  • ch-777-a
  • f 6
  • hsci1_000283
  • ia 887
  • k-117
  • n,4'-bi(pyrrole-2-carboxamide), n'-(2-carbamoylethyl)-4-((2-guanidinoacetimidoyl)amino)-1,1'-dimethyl-
  • n-(3-amino-3-imino-propyl)-4-[[4-[(2-guanidinoacetyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxamide
  • n-(3-amino-3-imino-propyl)-4-[[4-[2-(diaminomethylideneamino)ethanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxamide
  • n-(3-amino-3-iminopropyl)-4-[[4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide
  • n-(3-amino-3-iminopropyl)-4-[[[4-[(2-guanidino-1-oxoethyl)amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolecarboxamide
  • nt
  • t 1384
CAS Number(s)
  • 554-32-5
InChIKey IDBIFFKSXLYUOT-UHFFFAOYSA-N
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