N~2~-(4-{[(2,4-Diamino-6-Pteridinyl)Methyl](Methyl)Amino}Benzoyl)-L-Ornithine

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Properties Simple | Detailed

Formula C20H25N9O3
IUPAC Name (2s)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanoic acid
Molecular Mass 439.471 g·mol−1
Heat of Formation -202.7 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 512.38 Å 3
Surface Area 408.92 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanoic acid
  • (2s)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]valeric acid
  • (2s)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanoic acid
  • (2s)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanoic acid
  • (2s)-5-amino-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanoic acid
  • admpo
  • l-ornithine, n2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
  • nalpha-(4-amino-4-deoxy-n(10)-methylpteroyl)ornithine
  • ornithine-methotrexate
CAS Number(s)
  • 80407-73-4
InChIKey XZMFYMLGNMSYOG-AWEZNQCLSA-N
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