N-(3,5-Dichloro-4-(((2,4-Diamino-6-Pteridinyl)Methyl)Methylamino)Benzoyl)- L-Glutamic Acid

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Properties Simple | Detailed

Formula C20H20Cl2N8O5
IUPAC Name (2s)-2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
Molecular Mass 523.329 g·mol−1
Heat of Formation -675.5 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 550.59 Å 3
Surface Area 408.97 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid
  • (2s)-2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[[3,5-dichloro-4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 3',5'-dichloro-4-amino-4-deoxy-n(sup 10)-methylpteroglutamic acid
  • glutamic acid, n-(3,5-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
  • glutamic acid, n-(3,5-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, l- (8ci)
  • l-glutamic acid, n-(3,5-dichloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- (9ci)
  • l-glutamic acid, n-[[(2,4-diamino-6-pteridinyl)methyl][methyl]amino]-3,5-dichlorobenzoyl]-
  • n-(3,5-dichloro-4-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)glutamic acid
CAS Number(s)
  • 88442-77-7
InChIKey MCEHFIXEKNKSRW-LBPRGKRZSA-N
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