![(2R,3R,6S)-3-[[(3S)-5-(amidino-methyl-amino)-3-amino-pentanoyl]amino]-6-(4-amino-2-keto-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid](/api/spectrum/6rSpmKSMF7j/structure.png?h=300&w=458 "(2R,3R,6S)-3-[[(3S)-5-(amidino-methyl-amino)-3-amino-pentanoyl]amino]-6-(4-amino-2-keto-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid")
| SpectraBase Compound ID | ARvf1YKdkYI |
|---|---|
| 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)/t9-,10+,13-,14+/m0/s1 |
| InChIKey | CXNPLSGKWMLZPZ-GIFSMMMISA-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 | 6rSpmKSMF7j |
|---|---|
| Name | (2R,3R,6S)-3-[[(3S)-5-(amidino-methyl-amino)-3-amino-pentanoyl]amino]-6-(4-amino-2-keto-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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)/t9-,10+,13-,14+/m0/s1 |
| InChIKey | CXNPLSGKWMLZPZ-GIFSMMMISA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2007) |
| Molecular Weight | 422.444 g/mol |
| Source File Reference | MHKO15436 |