| SpectraBase Compound ID | 9pD3CyfC4N1 |
|---|---|
| InChI | InChI=1S/C26H41N3O7S/c1-8-16(2)20(24(33)35-7)28-22(31)19(15-37-14-18-12-10-9-11-13-18)27-23(32)21(17(3)30)29-25(34)36-26(4,5)6/h9-13,16-17,19-21,30H,8,14-15H2,1-7H3,(H,27,32)(H,28,31)(H,29,34) |
| InChIKey | WMYWIRMDLMMFTM-UHFFFAOYSA-N |
| Mol Weight | 539.7 g/mol |
| Molecular Formula | C26H41N3O7S |
| Exact Mass | 539.266522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EEqFtlSsDg4 |
|---|---|
| Name | ISOLEUCINE, N-[3-(BENZYLTHIO)-N-(N-CARBOXY-L-THREONYL)-L-ALANYL]-, N |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C26H41N3O7S |
| InChI | InChI=1S/C26H41N3O7S/c1-8-16(2)20(24(33)35-7)28-22(31)19(15-37-14-18-12-10-9-11-13-18)27-23(32)21(17(3)30)29-25(34)36-26(4,5)6/h9-13,16-17,19-21,30H,8,14-15H2,1-7H3,(H,27,32)(H,28,31)(H,29,34) |
| InChIKey | WMYWIRMDLMMFTM-UHFFFAOYSA-N |
| Instrument Name | BRUK HX-90 |
| NMR Standard | TMS |
| Solvent | CDCL3 |