![L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, dimethyl ester](/api/spectrum/DAdA0EBc7s0/structure.png?h=300&w=458 "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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DAdA0EBc7s0 |
|---|---|
| Name | L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 468.186965900 u |
| 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 | C=1(N=C(N=C2N=CC(=NC12)CNC=1C=CC(C(N[C@](C(=O)OC)(CCC(=O)OC)[H])=O)=CC1)N)N |