N-[4-({[(2,4-Diamino-6-Pteridinyl)Methyl][(4-Methylphenyl)Sulfonyl]Amino}Methyl)Benzoyl]-L-Glutamic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C27H28N8O7S
IUPAC Name (2s)-2-[[4-[[(2,4-diaminopteridin-6-yl)methyl-(p-tolylsulfonyl)amino]methyl]benzoyl]amino]pentanedioic acid
Molecular Mass 608.626 g·mol−1
Heat of Formation -853.9 ± 16.7 kJ·mol−1
Dipole Moment 6.06 ± 1.08 D
Volume 681.81 Å 3
Surface Area 531.54 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[(2,4-diaminopteridin-6-yl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[[(2,4-diaminopteridin-6-yl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[[(2,4-diaminopteridin-6-yl)methyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[[(2,4-diaminopteridin-6-yl)methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[[4-[[(2,4-diamino-6-pteridinyl)methyl-(4-methylphenyl)sulfonylamino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • n(10)-tosylisohomoaminopterin
  • n-(4-((((((2,4-diamino-6-pteridinyl)methyl)phenyl)sulfonyl)amino)methyl)benzoyl)-l-glutamic acid
CAS Number(s)
  • 66801-30-7
InChIKey IRKCUNZPTXZRKL-FQEVSTJZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N