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

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Properties Simple | Detailed

Formula C20H22N8O5
IUPAC Name (2s)-2-[[4-[[(2,4-diaminopteridin-6-yl)methylamino]methyl]benzoyl]amino]pentanedioic acid
Molecular Mass 454.439 g·mol−1
Heat of Formation -544.7 ± 16.7 kJ·mol−1
Dipole Moment 7.76 ± 1.08 D
Volume 508.59 Å 3
Surface Area 462.91 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[(2,4-diaminopteridin-6-yl)methylamino]methyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[[(2,4-diaminopteridin-6-yl)methylamino]methyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[[(2,4-diaminopteridin-6-yl)methylamino]methyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[[(2,4-diamino-6-pteridinyl)methylamino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • isohomoaminopterin
  • n-(4-((((2,4-diamino-6-pteridinyl)methyl)amino)methyl)benzoyl)-l-glutamic acid
CAS Number(s)
  • 39271-61-9
InChIKey DSQDEAFTKORRSV-ZDUSSCGKSA-N
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