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

Molecule SVG Image

Properties Simple | Detailed

Formula C24H26N9O7
IUPAC Name (2s)-2-[[4-[[2,4-bis(λ1-azanyl)pteridine-1,3,5-triium-6-yl]methyl-methyl-amino]benzene-2,6-diide-1-carbonyl]amino]-5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxo-pentanoate
Molecular Mass 552.519 g·mol−1
Heat of Formation -710.0 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 621.8 Å 3
Surface Area 523.27 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -1.09 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N