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L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, dimethyl ester
SpectraBase Compound ID 6c5yFNOVK4w
InChI InChI=1S/C21H24N8O5/c1-33-15(30)8-7-14(20(32)34-2)27-19(31)11-3-5-12(6-4-11)24-9-13-10-25-18-16(26-13)17(22)28-21(23)29-18/h3-6,10,14,24H,7-9H2,1-2H3,(H,27,31)(H4,22,23,25,28,29)/t14-/m0/s1
InChIKey BDRKFNYKWZSCDF-AWEZNQCLSA-N
Mol Weight 468.47 g/mol
Molecular Formula C21H24N8O5
Exact Mass 468.186966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8K6IWp8sSJ
Name L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, dimethyl ester
CAS Registry Number 67736-04-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N8O5
InChI InChI=1S/C21H24N8O5/c1-33-15(30)8-7-14(20(32)34-2)27-19(31)11-3-5-12(6-4-11)24-9-13-10-25-18-16(26-13)17(22)28-21(23)29-18/h3-6,10,14,24H,7-9H2,1-2H3,(H,27,31)(H4,22,23,25,28,29)/t14-/m0/s1
InChIKey BDRKFNYKWZSCDF-AWEZNQCLSA-N
Molecular Weight 468.474 g/mol
SMILES N(Cc1nc2c(nc(nc2nc1)N)N)c1ccc(C(N[C@](C(=O)OC)(CCC(=O)OC)[H])=O)cc1
SPLASH splash10-00di-8900000000-99b9daba0ae87167501c
Source of Spectrum KO-5-162-2
Synonyms 4-Amino-4deoxypteroylglutamic acid Dimethyl (2S)-2-[(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)amino]pentanedioate Methyl ester of aminopterin
Wiley ID 1392305