Pteropterin

CAS Registry Number®

89-38-3
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CAS Name

Pteropterin

Molecular Formula

C29H33N9O12

Molecular Mass

699.63

Cite this Page

Pteropterin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89-38-3 (retrieved 2024-05-20) (CAS RN: 89-38-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H33N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,12,16-18,31H,5-11H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H3,30,32,37,38,44)/t16-,17-,18-/m0/s1

InChIKey

InChIKey=WOLQREOUPKZMEX-BZSNNMDCSA-N

SMILES

O=C1C=2C(NC=C(CNC3=CC=C(C(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=C3)N2)=NC(N)=N1

Canonical SMILES

O=C1N=C(N=C2NC=C(N=C12)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)O)N

Other Names for this Substance

  • L-Glutamic acid, N-[4-[[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-γ-glutamyl-L-γ-glutamyl-
  • Glutamic acid, N-[N-(N-pteroyl-L-γ-glutamyl)-L-γ-glutamyl]-, L-
  • L-Glutamic acid, N-[N-[N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-γ-glutamyl]-L-γ-glutamyl]-
  • L-Glutamic acid, N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-γ-glutamyl-L-γ-glutamyl-
  • N-[4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-γ-glutamyl-L-γ-glutamyl-L-glutamic acid

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Deleted or Replaced CAS Registry Numbers

19360-01-1, 33530-86-8, 34175-29-6, 37793-56-9

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