![3-(3-Amino-5-[1-methyl-guanidino]-valeramido)-6-(4-amino-2-oxo-1H-pyrimidino)-3,6-dihydro-2H-pyran-2-carboxylic acid](/api/spectrum/FqDWJZKvHFe/structure.png?h=300&w=458 "3-(3-Amino-5-[1-methyl-guanidino]-valeramido)-6-(4-amino-2-oxo-1H-pyrimidino)-3,6-dihydro-2H-pyran-2-carboxylic acid")
| SpectraBase Compound ID | 6QEruoLqSgh |
|---|---|
| InChI | InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29) |
| InChIKey | CXNPLSGKWMLZPZ-UHFFFAOYSA-N |
| Mol Weight | 422.45 g/mol |
| Molecular Formula | C17H26N8O5 |
| Exact Mass | 422.202616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqDWJZKvHFe |
|---|---|
| Name | 3-(3-Amino-5-[1-methyl-guanidino]-valeramido)-6-(4-amino-2-oxo-1H-pyrimidino)-3,6-dihydro-2H-pyran-2-carboxylic acid |
| CAS Registry Number | 2079-00-7 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C17H26N8O5 |
| InChI | InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29) |
| InChIKey | CXNPLSGKWMLZPZ-UHFFFAOYSA-N |
| Instrument Name | Bruker AM-270 |
| NMR Standard | TMS-PRSO3 Na |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |