(5R,10S)-N-(3-{4-[(2Z)-3-{[2-(2-Amino-1H-Imidazol-4-Yl)Ethyl]Amino}-2-(Hydroxyimino)-3-Oxopropyl]-2,6-Dibromophenoxy}Propyl)-7,9-Dibromo-10-Hydroxy-8-Methoxy-1-Oxa-2-Azaspiro[4.5]Deca-2,6,8-Triene-3-Carboxamide

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Properties Simple | Detailed

Formula C27H29Br4N7O7
IUPAC Name (5r,6s)-n-[3-[4-[(2z)-3-[2-(2-amino-1h-imidazol-5-yl)ethylamino]-2-hydroxyimino-3-oxo-propyl]-2,6-dibromo-phenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Molecular Mass 883.178 g·mol−1
Heat of Formation -500.1 ± 16.7 kJ·mol−1
Dipole Moment 6.11 ± 1.08 D
Volume 802.49 Å 3
Surface Area 510.25 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6s)-n-[3-[4-[(2z)-3-[2-(2-amino-3h-imidazol-4-yl)ethylamino]-2-hydroximino-3-keto-propyl]-2,6-dibromo-phenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
  • (5r,6s)-n-[3-[4-[(2z)-3-[2-(2-amino-3h-imidazol-4-yl)ethylamino]-2-hydroxyimino-3-oxo-propyl]-2,6-dibromo-phenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
  • (5r,6s)-n-[3-[4-[(2z)-3-[2-(2-amino-3h-imidazol-4-yl)ethylamino]-2-hydroxyimino-3-oxopropyl]-2,6-dibromophenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
  • (5r,6s)-n-[3-[4-[3-[2-(2-amino-3h-imidazol-4-yl)ethylamino]-2-hydroximino-3-keto-propyl]-2,6-dibromo-phenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
  • (5r,6s)-n-[3-[4-[3-[2-(2-amino-3h-imidazol-4-yl)ethylamino]-2-hydroxyimino-3-oxo-propyl]-2,6-dibromo-phenoxy]propyl]-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
InChIKey FFJLRVBPVWKFTA-BAPZPQAKSA-N
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