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Substance Name: Pteroylhexaglutamylglutamic acid
RN: 6484-74-8
UNII: 3ULW2C76OT
InChIKey: WDDAVTBNEYJVJP-FLMSMKGQSA-N

Note

  • Pteroylpolyglutamate.

Molecular Formula

  • C49-H61-N13-O24

Molecular Weight

  • 1216.0879
 
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Names and Synonyms

Name of Substance

  • Pteroylglutamyl-gamma-hexaglutamate
  • Pteroylhexaglutamylglutamic acid

Synonym

  • UNII-3ULW2C76OT

Systematic Name

  • L-Glutamic acid, N-(N-(N-(N-(N-(N-(N-(4-(((2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-

Registry Numbers

CAS Registry Number

  • 6484-74-8

FDA UNII

  • 3ULW2C76OT

System Generated Number

  • 0006484748

Structure Descriptors

InChI

1S/C49H61N13O24/c50-49-61-39-38(41(72)62-49)53-23(20-52-39)19-51-22-3-1-21(2-4-22)40(71)60-30(48(85)86)10-17-36(68)58-28(46(81)82)8-15-34(66)56-26(44(77)78)6-13-32(64)54-24(42(73)74)5-12-31(63)55-25(43(75)76)7-14-33(65)57-27(45(79)80)9-16-35(67)59-29(47(83)84)11-18-37(69)70/h1-4,20,24-30,51H,5-19H2,(H,54,64)(H,55,63)(H,56,66)(H,57,65)(H,58,68)(H,59,67)(H,60,71)(H,69,70)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H3,50,52,61,62,72)/t24-,25-,26-,27-,28-,29-,30-/m0/s1

InChIKey

WDDAVTBNEYJVJP-FLMSMKGQSA-N

Smiles

c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)c(=O)[nH]c(n3)N