N-[5-({5-[(3-Aminopropyl)Carbamoyl]-1-Methyl-1H-Pyrrol-2-Yl}Carbamoyl)-1-Methyl-1H-Pyrrol-3-Yl]-4-[(Bromoacetyl)Amino]-1-Methyl-1H-Pyrrole-2-Carboxamide

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Properties Simple | Detailed

Formula C23H29BrN8O4
IUPAC Name n-(3-aminopropyl)-5-[[4-[[4-[(2-bromoacetyl)amino]-1-methyl-pyrrol-1-ium-2-ylium-2-carbonyl]amino]-1-methyl-pyrrol-1-ium-2-ylium-2-carbonyl]amino]-1-methyl-pyrrol-1-ium-5-ylium-2-carboxamide
Molecular Mass 561.432 g·mol−1
Heat of Formation -346.3 ± 16.7 kJ·mol−1
Dipole Moment 7.20 ± 1.08 D
Volume 598.83 Å 3
Surface Area 541.45 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole-2-carboxamide, n-(5-(((3-aminopropyl)amino)carbonyl)-1-methyl-1h-pyrrol-3-yl)-4-(((4-((bromoacetyl)amino)-1-methyl-1h-pyrrol-2-yl)carbonyl)amino)-1-methyl-
  • m-bromoacetyldistamycin
  • n-(3-aminopropyl)-5-[[4-[[4-(2-bromoethanoylamino)-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxamide
  • n-(3-aminopropyl)-5-[[4-[[4-[(2-bromoacetyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxamide
  • n-(3-aminopropyl)-5-[[[4-[[[4-[(2-bromo-1-oxoethyl)amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolecarboxamide
CAS Number(s)
  • 99328-13-9
InChIKey QVJUIPBTVKGIQZ-UHFFFAOYSA-N
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