![4-{4-[(S)2-((S)2-Amino-3-methylbutyrylamino)-2-methoxycarbonyl-ethyl]phenoxy}-butyric acid](/api/spectrum/G98tuNqVv8o/structure.png?h=300&w=458 "4-{4-[(S)2-((S)2-Amino-3-methylbutyrylamino)-2-methoxycarbonyl-ethyl]phenoxy}-butyric acid")
| SpectraBase Compound ID | IIGysoZjvEI |
|---|---|
| InChI | InChI=1S/C19H28N2O6/c1-12(2)17(20)18(24)21-15(19(25)26-3)11-13-6-8-14(9-7-13)27-10-4-5-16(22)23/h6-9,12,15,17H,4-5,10-11,20H2,1-3H3,(H,21,24)(H,22,23)/t15-,17-/m0/s1 |
| InChIKey | QPPLQGXGXRKVDX-RDJZCZTQSA-N |
| Mol Weight | 380.44 g/mol |
| Molecular Formula | C19H28N2O6 |
| Exact Mass | 380.194737 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G98tuNqVv8o |
|---|---|
| Name | 4-{4-[(S)2-((S)2-amino-3-methylbutyrylamino)-2-methoxycarbonyl-ethyl]phenoxy}-Butyric Acid |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H28N2O6 |
| InChI | InChI=1S/C19H28N2O6/c1-12(2)17(20)18(24)21-15(19(25)26-3)11-13-6-8-14(9-7-13)27-10-4-5-16(22)23/h6-9,12,15,17H,4-5,10-11,20H2,1-3H3,(H,21,24)(H,22,23)/t15-,17-/m0/s1 |
| InChIKey | QPPLQGXGXRKVDX-RDJZCZTQSA-N |
| Molecular Weight | 380.441 g/mol |
| SMILES | N(C([C@@](N)(C(C)C)[H])=O)[C@@](Cc1ccc(OCCCC(=O)O)cc1)(C(=O)OC)[H] |
| SPLASH | splash10-001i-0069000000-29e0b6eff685205904d8 |
| Source of Spectrum | C-124-5682-14 |
| Wiley ID | 1701017 |