| SpectraBase Compound ID | 5TUtFFrznLP |
|---|---|
| InChI | InChI=1S/C33H39N3O8/c1-21(34-29(40)27(24-14-10-7-11-15-24)35-31(42)44-32(2,3)4)28(39)36-33(5,19-23-16-17-25(37)26(38)18-23)30(41)43-20-22-12-8-6-9-13-22/h6-18,21,27,37-38H,19-20H2,1-5H3,(H,34,40)(H,35,42)(H,36,39)/t21-,27+,33-/m0/s1 |
| InChIKey | HWAAEQNXLALPIX-GCJGRBOISA-N |
| Mol Weight | 605.7 g/mol |
| Molecular Formula | C33H39N3O8 |
| Exact Mass | 605.273715 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FrzfNIjcCFj |
|---|---|
| Name | Boc-C(Ph)Gly-Ala-.alpha.-MD-OBn |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H39N3O8 |
| InChI | InChI=1S/C33H39N3O8/c1-21(34-29(40)27(24-14-10-7-11-15-24)35-31(42)44-32(2,3)4)28(39)36-33(5,19-23-16-17-25(37)26(38)18-23)30(41)43-20-22-12-8-6-9-13-22/h6-18,21,27,37-38H,19-20H2,1-5H3,(H,34,40)(H,35,42)(H,36,39)/t21-,27+,33-/m0/s1 |
| InChIKey | HWAAEQNXLALPIX-GCJGRBOISA-N |
| Molecular Weight | 605.688 g/mol |
| SMILES | N(C([C@](NC(OC(C)(C)C)=O)(c1ccccc1)[H])=O)[C@](C(N[C@@](Cc1ccc(c(c1)O)O)(C(OCc1ccccc1)=O)C)=O)(C)[H] |
| SPLASH | splash10-0a4i-0696070000-ad399fc44b53c0be739f |
| Source of Spectrum | QA-42-564-6 |
| Wiley ID | 862015 |