5-Methyltetrahydropteroylpentaglutamate

CAS Registry Number®

39555-46-9

CAS Name

5-Methyltetrahydropteroylpentaglutamate

Molecular Formula

C40H53N11O18

Molecular Mass

975.91

Cite this Page

5-Methyltetrahydropteroylpentaglutamate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39555-46-9 (retrieved 2024-11-28) (CAS RN: 39555-46-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H53N11O18/c1-51-20(17-43-32-31(51)34(59)50-40(41)49-32)16-42-19-4-2-18(3-5-19)33(58)48-25(39(68)69)9-14-29(55)46-23(37(64)65)7-12-27(53)44-21(35(60)61)6-11-26(52)45-22(36(62)63)8-13-28(54)47-24(38(66)67)10-15-30(56)57/h2-5,20-25,42H,6-17H2,1H3,(H,44,53)(H,45,52)(H,46,55)(H,47,54)(H,48,58)(H,56,57)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H4,41,43,49,50,59)/t20?,21-,22-,23-,24-,25-/m0/s1

InChIKey

InChIKey=YTNHQTUNGACIDU-PHDXAEFOSA-N

SMILES

CN1C2=C(NCC1CNC3=CC=C(C(N[C@@H](CCC(N[C@@H](CCC(N[C@@H](CCC(N[C@@H](CCC(N[C@@H](CCC(O)=O)C(O)=O)=O)C(O)=O)=O)C(O)=O)=O)C(O)=O)=O)C(O)=O)=O)C=C3)NC(N)=NC2=O

Canonical SMILES

O=C1N=C(N)NC=2NCC(N(C12)C)CNC3=CC=C(C=C3)C(=O)NC(C(=O)O)CCC(=O)NC(C(=O)O)CCC(=O)NC(C(=O)O)CCC(=O)NC(C(=O)O)CCC(=O)NC(C(=O)O)CCC(=O)O

Other Names for this Substance

  • L-Glutamic acid, N-[4-[[(2-amino-3,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-
  • L-Glutamic acid, N-[N-[N-[N-[N-[4-[[(2-amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-γ-glutamyl]-L-γ-glutamyl]-L-γ-glutamyl]-L-γ-glutamyl]-
  • L-Glutamic acid, N-[4-[[(2-amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-
  • N-[4-[[(2-Amino-3,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-L-γ-glutamyl-L-glutamic acid
  • 5-Methyltetrahydropteroylpentaglutamate

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Deleted or Replaced CAS Registry Numbers

41714-34-5, 51053-59-9, 51892-12-7, 1217437-16-5

CAS INSIGHTSTM
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