![(2S)-2-Amino-6-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)hexanoic acid](/api/spectrum/9bAnWPH1zpK/structure.png?h=300&w=458 "(2S)-2-Amino-6-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)hexanoic acid")
| SpectraBase Compound ID | JtDj1eB1c1r |
|---|---|
| InChI | InChI=1S/C18H25N3O4S/c1-21(2)16-10-5-8-14-13(16)7-6-11-17(14)26(24,25)20-12-4-3-9-15(19)18(22)23/h5-8,10-11,15,20H,3-4,9,12,19H2,1-2H3,(H,22,23)/t15-/m0/s1 |
| InChIKey | VQPRNSWQIAHPMS-HNNXBMFYSA-N |
| Mol Weight | 379.48 g/mol |
| Molecular Formula | C18H25N3O4S |
| Exact Mass | 379.156577 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9bAnWPH1zpK |
|---|---|
| Name | (2S)-2-Amino-6-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)hexanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.156577467 u |
| Formula | C18H25N3O4S |
| InChI | InChI=1S/C18H25N3O4S/c1-21(2)16-10-5-8-14-13(16)7-6-11-17(14)26(24,25)20-12-4-3-9-15(19)18(22)23/h5-8,10-11,15,20H,3-4,9,12,19H2,1-2H3,(H,22,23)/t15-/m0/s1 |
| InChIKey | VQPRNSWQIAHPMS-HNNXBMFYSA-N |
| Molecular Weight | 379.475 g/mol |
| SMILES | C(NS(=O)(=O)C1=C2C(C(=CC=C2)N(C)C)=CC=C1)CCC[C@]([H])(N)C(=O)O |