| SpectraBase Compound ID | 4O5HQSmQG9B |
|---|---|
| InChI | InChI=1S/C16H22N2O5S/c1-11(15(20)21)17-14(19)13(8-9-24-2)18-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,19)(H,18,22)(H,20,21)/t11-,13-/m0/s1 |
| InChIKey | WNPCADDTHHEWIB-AAEUAGOBSA-N |
| Mol Weight | 354.42 g/mol |
| Molecular Formula | C16H22N2O5S |
| Exact Mass | 354.124943 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hCZTCdNyb |
|---|---|
| Name | N-(N-carboxy-L-methionyl)-L-alanine, N-benzyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H22N2O5S |
| InChI | InChI=1S/C16H22N2O5S/c1-11(15(20)21)17-14(19)13(8-9-24-2)18-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,19)(H,18,22)(H,20,21)/t11-,13-/m0/s1 |
| InChIKey | WNPCADDTHHEWIB-AAEUAGOBSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 60587M |
| Solvent | DMSO-d6 |