(2S)-2-[(4-{[(2,4-Diamino-6-Pteridinyl)Methyl]Amino}Benzoyl)Amino]-5-[(2-Methyl-2-Propanyl)Oxy]-5-Oxopentanoic Acid

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Properties Simple | Detailed

Formula C23H28N8O5
IUPAC Name (2s)-5-tert-butoxy-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-5-oxo-pentanoic acid
Molecular Mass 496.519 g·mol−1
Heat of Formation -635.6 ± 16.7 kJ·mol−1
Dipole Moment 7.54 ± 1.08 D
Volume 575.7 Å 3
Surface Area 487.18 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]carbonylamino]-5-[(2-methylpropan-2-yl)oxy]-5-oxo-pentanoic acid
  • (2s)-5-tert-butoxy-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-5-keto-valeric acid
  • (2s)-5-tert-butoxy-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-5-oxo-pentanoic acid
  • (2s)-5-tert-butoxy-2-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]-5-oxopentanoic acid
  • gamma-tbamt
  • gamma-tert-butyl aminopterin
  • l-glutamic acid, n-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, 5-(1,1-dimethylethyl) ester
CAS Number(s)
  • 95484-98-3
InChIKey XNVKVOKOYAOROU-HNNXBMFYSA-N
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