(2S)-2-[(4-{[(2,4-Diamino-6-Pteridinyl)Methyl](Methyl)Amino}Benzoyl)Amino]-5-[(2,5-Dioxo-1-Pyrrolidinyl)Oxy]-5-Oxopentanoic Acid

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Properties Simple | Detailed

Formula C24H25N9O7
IUPAC Name (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxo-pentanoic acid
Molecular Mass 551.511 g·mol−1
Heat of Formation -731.2 ± 16.7 kJ·mol−1
Dipole Moment 8.81 ± 1.08 D
Volume 621.41 Å 3
Surface Area 443.6 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxo-pentanoic acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-keto-5-succinimidooxy-valeric acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]-5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxo-pentanoic acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid
  • (2s)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]-5-[(2,5-dioxo-1-pyrrolidinyl)oxy]-5-oxopentanoic acid
  • aminopterin n-hydroxysuccinimide ester
  • l-glutamic acid, n-(4-((2,4-diamino-6-pteridinyl)methylamino)benzoyl)-, mono(2,5-pyrrolidinedione) deriv.
  • n-(4-((2,4-diamino-6-pteridinyl)methylamino)benzoyl)-l-glutamic acid mono(2,5-pyrrolidinedione) deriv.
  • n-hydroxysuccinimide aminopterin
  • nhs-aminopterin
CAS Number(s)
  • 98457-88-6
InChIKey MYDJRYXFBSZFTR-HNNXBMFYSA-N
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