![N-METHYL-(R)-2-[(R)-2-(METHYLOXY)-1-(TERT.-BUTOXYCARBONYLAMINO)-2-OXO-ETHYL]-5-PHENYLPENTANOYL-(S)-PHENYLALANINEAMIDE](/api/spectrum/AxzE5jpMsiI/structure.png?h=300&w=458 "N-METHYL-(R)-2-[(R)-2-(METHYLOXY)-1-(TERT.-BUTOXYCARBONYLAMINO)-2-OXO-ETHYL]-5-PHENYLPENTANOYL-(S)-PHENYLALANINEAMIDE")
| SpectraBase Compound ID | 2TC478a8CLs |
|---|---|
| InChI | InChI=1S/C29H39N3O6/c1-29(2,3)38-28(36)32-24(27(35)37-5)22(18-12-17-20-13-8-6-9-14-20)25(33)31-23(26(34)30-4)19-21-15-10-7-11-16-21/h6-11,13-16,22-24H,12,17-19H2,1-5H3,(H,30,34)(H,31,33)(H,32,36)/t22-,23+,24-/m1/s1 |
| InChIKey | TXMSZZITAWBFRW-TZRRMPRUSA-N |
| Mol Weight | 525.6 g/mol |
| Molecular Formula | C29H39N3O6 |
| Exact Mass | 525.283886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AxzE5jpMsiI |
|---|---|
| Name | N-METHYL-(R)-2-[(R)-2-(METHYLOXY)-1-(TERT.-BUTOXYCARBONYLAMINO)-2-OXO-ETHYL]-5-PHENYLPENTANOYL-(S)-PHENYLALANINEAMIDE |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H39N3O6 |
| InChI | InChI=1S/C29H39N3O6/c1-29(2,3)38-28(36)32-24(27(35)37-5)22(18-12-17-20-13-8-6-9-14-20)25(33)31-23(26(34)30-4)19-21-15-10-7-11-16-21/h6-11,13-16,22-24H,12,17-19H2,1-5H3,(H,30,34)(H,31,33)(H,32,36)/t22-,23+,24-/m1/s1 |
| InChIKey | TXMSZZITAWBFRW-TZRRMPRUSA-N |
| Literature Reference Author | J.L.BURKHART,B.DIEHL,M.J.SCHMITT,U.KAZMAIER |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2012,567(2012) |
| Literature Reference DOI | 10.1002/ejoc.201101318 |
| Molecular Weight | 525.645 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU84320 |