N~6~-[4-Azido-2-Hydroxy-5-(~125~I)Iodobenzoyl]-N~2~-(4-{[(2,4-Diamino-6-Pteridinyl)Methyl](Methyl)Amino}Benzoyl)-L-Lysine

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Properties Simple | Detailed

Formula C28H29IN12O5
IUPAC Name (2s)-6-[(4-azido-2-hydroxy-5-iodo-benzoyl)amino]-2-[[4-[(2,4-diaminopteridine-1,3,5,8-tetraium-6-yl)methyl-methyl-amino]benzoyl]amino]hexanoic acid
Molecular Mass 738.512 g·mol−1
Heat of Formation -110.6 ± 16.7 kJ·mol−1
Dipole Moment 7.95 ± 1.08 D
Volume 750.21 Å 3
Surface Area 548.3 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • l-lysine, n6-(4-azido-2-hydroxy-5-(iodo-125i)benzoyl)-n2'-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
  • lysine-iodosalicylyl-methotrexate
  • n(alpha)-(4-amino-4-deoxy-10-methylpteroyl)-n(epsilon)-(4-azido-5-iodosalicylyl)lysine
  • n6-(4-azido-2-hydroxy-5-(iodo-125i)benzoyl)-n2'-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-l-lysine
CAS Number(s)
  • 108919-01-3
InChIKey UUWWSJGDUVBELF-PDXBUTOOSA-N
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