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Substance Name: 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid
RN: 96193-19-0
InChIKey: ZLLDSRTXPHYVLX-UHFFFAOYSA-N

Molecular Formula

  • C18-H20-N8-O6-S

Molecular Weight

  • 476.472
 
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Names and Synonyms

  • 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-sulfobutanoic acid

Registry Numbers

CAS Registry Number

  • 96193-19-0

System Generated Number

  • 0096193190

Structure Descriptors

InChI

1S/C18H20N8O6S/c19-14-13-15(26-18(20)25-14)22-8-11(23-13)7-21-10-3-1-9(2-4-10)16(27)24-12(17(28)29)5-6-33(30,31)32/h1-4,8,12,21H,5-7H2,(H,24,27)(H,28,29)(H,30,31,32)(H4,19,20,22,25,26)

InChIKey

ZLLDSRTXPHYVLX-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)NC(CCS(=O)(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)N