Nagelamide D

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Properties Simple | Detailed

Formula C22H24Br4N10O2
IUPAC Name n-[3-[2-amino-5-[(1s)-1-(2-aminoimidazol-3-ium-4-ylium-4-yl)-3-[(4,5-dibromopyrrol-1-ium-2-ylium-2-carbonyl)amino]propyl]imidazol-3-ium-4-ylium-4-yl]propyl]-4,5-dibromo-pyrrol-1-ium-2-ylium-2-carboxamide
Molecular Mass 780.108 g·mol−1
Heat of Formation 125.9 ± 16.7 kJ·mol−1
Dipole Moment 11.01 ± 1.08 D
Volume 682.43 Å 3
Surface Area 498.65 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(3s)-3-[2-amino-5-[3-[(4,5-dibromo-1h-pyrrol-2-yl)carbonylamino]propyl]-1h-imidazol-4-yl]-3-(2-amino-3h-imidazol-4-yl)propyl]-4,5-dibromo-1h-pyrrole-2-carboxamide
  • n-[(3s)-3-[2-amino-5-[3-[[(4,5-dibromo-1h-pyrrol-2-yl)-oxomethyl]amino]propyl]-1h-imidazol-4-yl]-3-(2-amino-3h-imidazol-4-yl)propyl]-4,5-dibromo-1h-pyrrole-2-carboxamide
InChIKey MXRBWEXRDANRHZ-VIFPVBQESA-N
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Elements H C O Br N