![(2S)-2-Amino-6-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)hexanoic acid, N-acetyl-](/api/spectrum/6BheJ5twAvE/structure.png?h=300&w=458 "(2S)-2-Amino-6-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)hexanoic acid, N-acetyl-")
| SpectraBase Compound ID | 5uxMplsdk8s |
|---|---|
| InChI | InChI=1S/C20H27N3O5S/c1-14(24)22-17(20(25)26)10-4-5-13-21-29(27,28)19-12-7-8-15-16(19)9-6-11-18(15)23(2)3/h6-9,11-12,17,21H,4-5,10,13H2,1-3H3,(H,22,24)(H,25,26)/t17-/m0/s1 |
| InChIKey | XKFWERHFHDHNHX-KRWDZBQOSA-N |
| Mol Weight | 421.51 g/mol |
| Molecular Formula | C20H27N3O5S |
| Exact Mass | 421.167142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6BheJ5twAvE |
|---|---|
| Name | (2S)-2-Amino-6-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)hexanoic acid, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 421.167142150 u |
| Formula | C20H27N3O5S |
| InChI | InChI=1S/C20H27N3O5S/c1-14(24)22-17(20(25)26)10-4-5-13-21-29(27,28)19-12-7-8-15-16(19)9-6-11-18(15)23(2)3/h6-9,11-12,17,21H,4-5,10,13H2,1-3H3,(H,22,24)(H,25,26)/t17-/m0/s1 |
| InChIKey | XKFWERHFHDHNHX-KRWDZBQOSA-N |
| Molecular Weight | 421.512 g/mol |
| SMILES | C(NS(=O)(=O)C1=C2C(C(=CC=C2)N(C)C)=CC=C1)CCC[C@]([H])(NC(C)=O)C(=O)O |