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L-Glutamic acid, N-[4-[[[4-methoxy-2-(methylamino)-6-pteridinyl]methyl]amino]benzoyl]- , dimethyl ester
SpectraBase Compound ID 8xRPUGEgDkz
InChI InChI=1S/C23H27N7O6/c1-24-23-29-19-18(21(30-23)35-3)27-15(12-26-19)11-25-14-7-5-13(6-8-14)20(32)28-16(22(33)36-4)9-10-17(31)34-2/h5-8,12,16,25H,9-11H2,1-4H3,(H,28,32)(H,24,26,29,30)/t16-/m0/s1
InChIKey DMHHOTUNWDAHHN-INIZCTEOSA-N
Mol Weight 497.51 g/mol
Molecular Formula C23H27N7O6
Exact Mass 497.202282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F47OOmFWU5V
Name L-Glutamic acid, N-[4-[[[4-methoxy-2-(methylamino)-6-pteridinyl]methyl]amino]benzoyl]- , dimethyl ester
CAS Registry Number 67736-05-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27N7O6
InChI InChI=1S/C23H27N7O6/c1-24-23-29-19-18(21(30-23)35-3)27-15(12-26-19)11-25-14-7-5-13(6-8-14)20(32)28-16(22(33)36-4)9-10-17(31)34-2/h5-8,12,16,25H,9-11H2,1-4H3,(H,28,32)(H,24,26,29,30)/t16-/m0/s1
InChIKey DMHHOTUNWDAHHN-INIZCTEOSA-N
Molecular Weight 497.512 g/mol
SMILES N(Cc1nc2c(nc(nc2OC)NC)nc1)c1ccc(C(N[C@](C(=O)OC)(CCC(=O)OC)[H])=O)cc1
SPLASH splash10-00xr-6900000000-082eb5191225ce9f25db
Source of Spectrum KO-5-162-3
Synonyms Dimethyl (2S)-2-{[4-({[4-methoxy-2-(methylamino)-6-pteridinyl]methyl}amino)benzoyl]amino}pentanedioate Methyl derivative of folic acid Pteroylglutamic acid
Wiley ID 1398386