A23187

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Properties Simple | Detailed

Formula C29H34N3O6
IUPAC Name 5-isocyano-2-[[(2s,3r,5r,6s,8r,9r)-3,5,9-trimethyl-2-[(1s)-1-methyl-2-oxo-2-(3h-pyrrol-1-ium-3-id-5-yl)ethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-6,7-dihydro-1,3-benzoxazol-3-ium-6,7,7a-triide-4-carboxylic acid
Molecular Mass 520.597 g·mol−1
Heat of Formation -932.3 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 645.86 Å 3
Surface Area 474.54 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2s,3r,5r,6s,8r,9r)-2-[(1s)-2-keto-1-methyl-2-(1h-pyrrol-2-yl)ethyl]-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-5-methylamino-1,3-benzoxazole-4-carboxylic acid
  • 5-methylamino-2-[[(2s,3r,5r,6s,8r,9r)-3,5,9-trimethyl-2-[(1s)-1-methyl-2-oxo-2-(1h-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid
  • 5-methylamino-2-[[(2s,3r,5r,6s,8r,9r)-3,5,9-trimethyl-2-[(2s)-1-oxo-1-(1h-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid
  • antibiotic a 23187
  • calcimycin a23187
  • calcium ionophore a23187
  • calcium ionophore iii
  • calimycin
InChIKey HIYAVKIYRIFSCZ-CYEMHPAKSA-N
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