Methyl N-[3,5-Dichloro-4-(4,5-Dihydro-1H-Imidazol-2-Ylamino)Benzoyl]-3,5-Diiodo-L-Tyrosinate

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Properties Simple | Detailed

Formula C20H16Cl2I2N4O4
IUPAC Name 3,5-dichloro-4-(4,5-dihydro-1h-imidazol-2-ylamino)-n-[(2s)-6,8-diiodo-3,7-dioxo-spiro[3.5]nona-5,8-dien-2-yl]benzamide; methanone
Molecular Mass 701.080 g·mol−1
Heat of Formation -346.4 ± 16.7 kJ·mol−1
Dipole Moment 1.10 ± 1.08 D
Volume 567.07 Å 3
Surface Area 442.49 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[3,5-dichloro-4-(4,5-dihydro-1h-imidazol-2-ylamino)benzoyl]amino]-3-(4-hydroxy-3,5-diiodo-phenyl)propionic acid methyl ester
  • (2s)-2-[[[3,5-dichloro-4-(4,5-dihydro-1h-imidazol-2-ylamino)phenyl]-oxomethyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid methyl ester
  • 3,5-dichloro-st 1984-tme
  • 4-carboxyclonidine-3,5-dichlorotyrosine methyl ester
  • 4-carboxyclonidine-methyl 3,5-dichlorotyrosine
  • l-tyrosine, n-(3,5-dichloro-4-((4,5-dihydro-1h-imidazol-2-yl)amino)benzoyl)-3,5-diiodo-, methyl ester
  • methyl (2s)-2-[[3,5-dichloro-4-(4,5-dihydro-1h-imidazol-2-ylamino)benzoyl]amino]-3-(4-hydroxy-3,5-diiodo-phenyl)propanoate
  • methyl (2s)-2-[[3,5-dichloro-4-(4,5-dihydro-1h-imidazol-2-ylamino)benzoyl]amino]-3-(4-hydroxy-3,5-diiodophenyl)propanoate
  • methyl (2s)-2-[[3,5-dichloro-4-(4,5-dihydro-1h-imidazol-2-ylamino)phenyl]carbonylamino]-3-(4-hydroxy-3,5-diiodo-phenyl)propanoate
CAS Number(s)
  • 75472-83-2
InChIKey WFGVKWPZKIPTRY-HNNXBMFYSA-N
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