| SpectraBase Compound ID | 2CUePFfB6rs |
|---|---|
| InChI | InChI=1S/C16H25N3O8S/c1-8(2)13(16(26)27)19-14(23)10(6-28-7-12(21)22)18-11(20)5-3-4-9(17)15(24)25/h6,8-9,13H,3-5,7,17H2,1-2H3,(H,18,20)(H,19,23)(H,21,22)(H,24,25)(H,26,27)/b10-6- |
| InChIKey | BAEHIRNTKFNZGB-POHAHGRESA-N |
| Mol Weight | 419.45 g/mol |
| Molecular Formula | C16H25N3O8S |
| Exact Mass | 419.136236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gq48udIInCj |
|---|---|
| Name | A-Amino-adipoyl-A-(3-methoxycarbonyl-2-thia-propylidene)-glycyl-valine |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H25N3O8S |
| InChI | InChI=1S/C16H25N3O8S/c1-8(2)13(16(26)27)19-14(23)10(6-28-7-12(21)22)18-11(20)5-3-4-9(17)15(24)25/h6,8-9,13H,3-5,7,17H2,1-2H3,(H,18,20)(H,19,23)(H,21,22)(H,24,25)(H,26,27)/b10-6- |
| InChIKey | BAEHIRNTKFNZGB-POHAHGRESA-N |
| Instrument Name | Bruker AM-500 |
| Literature Reference | J.E. Baldwin, M. Bradley, R.M. Adlington, Tetrahedron 47, 457 (1991). |
| NMR Standard | Dioxane |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |