| SpectraBase Compound ID | 7PrM7pELF2f |
|---|---|
| InChI | InChI=1S/C31H47N3O8/c1-9-22(30(39)42-25(31(40)41-8)17-21-13-11-10-12-14-21)32-29(38)26(20(6)7)34-27(36)23(15-18(2)3)33-28(37)24(35)16-19(4)5/h10-14,18-20,23-26,35H,9,15-17H2,1-8H3,(H,33,37)(H,34,36)/b32-22+/t23-,24-,25-,26-/m1/s1 |
| InChIKey | DVXLDMHYUONAEV-UEFGYPQCSA-N |
| Mol Weight | 589.7 g/mol |
| Molecular Formula | C31H47N3O8 |
| Exact Mass | 589.336315 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5FOvFqfmThQ |
|---|---|
| Name | Hmp-(R)-Leu-Val-(Z)-Aba-Hpp-OCH3 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H47N3O8 |
| InChI | InChI=1S/C31H47N3O8/c1-9-22(30(39)42-25(31(40)41-8)17-21-13-11-10-12-14-21)32-29(38)26(20(6)7)34-27(36)23(15-18(2)3)33-28(37)24(35)16-19(4)5/h10-14,18-20,23-26,35H,9,15-17H2,1-8H3,(H,33,37)(H,34,36)/b32-22+/t23-,24-,25-,26-/m1/s1 |
| InChIKey | DVXLDMHYUONAEV-UEFGYPQCSA-N |
| Molecular Weight | 589.730 g/mol |
| SMILES | N([C@@](C(\N=C\(C(O[C@@](C(=O)OC)(Cc1ccccc1)[H])=O)CC)=O)(C(C)C)[H])C([C@](NC([C@@](CC(C)C)(O)[H])=O)(CC(C)C)[H])=O |
| SPLASH | splash10-00di-9000000000-20eef1cc3fcb8209f79b |
| Source of Spectrum | J-64-1663-4 |
| Wiley ID | 1529489 |