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

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Properties Simple | Detailed

Formula C20H23N9O4
IUPAC Name (2s)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-oxo-pentanoic acid
Molecular Mass 453.455 g·mol−1
Heat of Formation -347.2 ± 16.7 kJ·mol−1
Dipole Moment 9.91 ± 1.08 D
Volume 514.67 Å 3
Surface Area 454.99 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-keto-valeric acid
  • (2s)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-oxo-pentanoic acid
  • (2s)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]-5-oxo-pentanoic acid
  • (2s)-5-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid
  • (2s)-5-amino-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]-5-oxopentanoic acid
  • l-glutamine, n2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
  • methotrexate-gamma-monoamide
  • n-(n'-(2,4-diamino-6-pteridinyl)methyl-n'-methyl-4-aminobenzoyl)-l-glutamine
InChIKey YFSVPBJUHQLTIQ-ZDUSSCGKSA-N
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