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Substance Name: N(alpha)-Pteroyl-N(epsilon)-(4'-fluoresceinthiocarbamoyl)lysine
RN: 133648-13-2
InChIKey: QOQGWHNDQWMTDJ-PMERELPUSA-N

Note

  • Probe for dihydrofolate reductase & a membrane folate-binding protein.

Molecular Formula

  • C41-H37-N9-O9-S

Molecular Weight

  • 831.863
 
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Names and Synonyms

Name of Substance

  • N(alpha)-Pteroyl-N(epsilon)-(4'-fluoresceinthiocarbamoyl)lysine

Synonyms

  • N2-(4-(((2-Amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-N6-(((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)amino)thioxomethyl)-L-lysine
  • Nnftcl

Systematic Name

  • L-Lysine, N2-(4-(((2-amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-N6-(((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)amino)thioxomethyl)-

Registry Numbers

CAS Registry Number

  • 133648-13-2

System Generated Number

  • 0133648132

Structure Descriptors

InChI

1S/C41H37N9O9S/c42-39-49-34-33(36(54)50-39)46-23(19-45-34)18-44-21-6-4-20(5-7-21)35(53)48-30(37(55)56)3-1-2-14-43-40(60)47-22-8-11-27-26(15-22)38(57)59-41(27)28-12-9-24(51)16-31(28)58-32-17-25(52)10-13-29(32)41/h4-13,15-17,30,44,51-52H,1-3,14,18-19H2,(H,48,53)(H,55,56)(H2,43,47,60)(H4,42,45,49,50,54)/t30-/m0/s1

InChIKey

QOQGWHNDQWMTDJ-PMERELPUSA-N

Smiles

C([C@@H](NC(c1ccc(cc1)NCC1=Nc2c(nc([nH]c2NC1)N)=O)=O)CCCCNC(=S)Nc1cc2C(OC3(c2cc1)c1ccc(cc1Oc1cc(ccc31)O)O)=O)(=O)O