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#1A;2-[[[3-CARBOXY-3-[[4-[[(2-AMINO-3,4-DIHYDRO-4-OXOPTERIDIN-6-YL)-METHYL]-AMINO]-BENZOYL]-AMINO]-PROPYL]-HYDROXYPHOSPHINYL]-METHYL]-PENTANE-1,5-DIOIC-ACID-TR

Compound with spectra: 2 NMR

#1A;2-[[[3-CARBOXY-3-[[4-[[(2-AMINO-3,4-DIHYDRO-4-OXOPTERIDIN-6-YL)-METHYL]-AMINO]-BENZOYL]-AMINO]-PROPYL]-HYDROXYPHOSPHINYL]-METHYL]-PENTANE-1,5-DIOIC-ACID-TR
SpectraBase Compound ID 6nTKZDwV90N
InChI InChI=1S/2C24H28N7O10P.2C12H28N/c2*25-24-30-19-18(21(35)31-24)28-15(10-27-19)9-26-14-4-1-12(2-5-14)20(34)29-16(23(38)39)7-8-42(40,41)11-13(22(36)37)3-6-17(32)33;2*1-5-9-13(10-6-2,11-7-3)12-8-4/h2*1-2,4-5,10,13,16,26H,3,6-9,11H2,(H,29,34)(H,32,33)(H,36,37)(H,38,39)(H,40,41)(H3,25,27,30,31,35);2*5-12H2,1-4H3/q;;2*+1
InChIKey CUUJCOAUUXKXAJ-UHFFFAOYSA-N
Mol Weight 1583.73 g/mol
Molecular Formula C72H112N16O20P2
Exact Mass 1582.771404 g/mol

View Spectrum of #1A;2-[[[3-CARBOXY-3-[[4-[[(2-AMINO-3,4-DIHYDRO-4-OXOPTERIDIN-6-YL)-METHYL]-AMINO]-BENZOYL]-AMINO]-PROPYL]-HYDROXYPHOSPHINYL]-METHYL]-PENTANE-1,5-DIOIC-ACID-TR

31P NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent D2O

View Spectrum of #1A;2-[[[3-CARBOXY-3-[[4-[[(2-AMINO-3,4-DIHYDRO-4-OXOPTERIDIN-6-YL)-METHYL]-AMINO]-BENZOYL]-AMINO]-PROPYL]-HYDROXYPHOSPHINYL]-METHYL]-PENTANE-1,5-DIOIC-ACID-TR

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent D2O
Methotrexate, dichloro-
Folinic acid
7-isopropyl-6,7-dihydrothieno[3,2-g]pteridine-2,4-diamine
DIETHYL-2-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-1-HYDROXYETHYLPHOSPHONATE
N-[4-[N-(2-AMINO-4,7-DIOXO-3,4,5,6,7,8-HEXAHYDROPYRIDO-[2,3-D]-PYRIMIDIN-6-YLMETHYL)-N-METHYLAMINO]-BENZOYL]-L-GLUTAMIC-ACID
6,7-DIMETHOXY-1-[4'-(4-METHYLPIPERAZINOACETYL)AMINOPHENYL]-1,4-DIHYDRO-3(2H)-ISOQUINOLINONE
1H-thieno[2,3-c]pyrazole-5-carboxamide, N-[4-(5-isoxazolyl)phenyl]-1-methyl-3-(trifluoromethyl)-
3-[5-methyl-3-(p-nitrophenyl)-4-isoxazolyl]pyrido[2,3-b]pyrazine
DIETHYL-3-[4-[(2-AMINO-6-CHLORO-9H-PURIN-9-YL)-METHYL]-1H-1,2,3-TRIAZOL-1-YL]-2-HYDROXYPROPYLPHOSPHONATE
(4R,5R)-3-benzyl-5-(1,2-dihydroxyheptyl)-2-keto-oxazolidine-4-carboxylic acid methyl ester
Title Journal or Book Year
Phosphinic Acid Pseudopeptides Analogous to Glutamyl-γ-glutamate:  Synthesis and Coupling to Pteroyl Azides Leads to Potent Inhibitors of Folylpoly-γ-glutamate Synthetase The Journal of Organic Chemistry 2001
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