![N-METHYL-(R)-2-[(R)-2-(BENZYLOXYAMINO)-1-(TERT.-BUTOXYCARBONYLAMINO)-2-OXO-ETHYL]-5-PHENYLPENTANOYL-(S)-PHENYLALANINEAMIDE](/api/spectrum/BOzDYy2ybKX/structure.png?h=300&w=458 "N-METHYL-(R)-2-[(R)-2-(BENZYLOXYAMINO)-1-(TERT.-BUTOXYCARBONYLAMINO)-2-OXO-ETHYL]-5-PHENYLPENTANOYL-(S)-PHENYLALANINEAMIDE")
| SpectraBase Compound ID | IAYafLjdPKX |
|---|---|
| InChI | InChI=1S/C35H44N4O6/c1-35(2,3)45-34(43)38-30(33(42)39-44-24-27-19-12-7-13-20-27)28(22-14-21-25-15-8-5-9-16-25)31(40)37-29(32(41)36-4)23-26-17-10-6-11-18-26/h5-13,15-20,28-30H,14,21-24H2,1-4H3,(H,36,41)(H,37,40)(H,38,43)(H,39,42)/t28-,29+,30-/m1/s1 |
| InChIKey | KULPNDLCXGASDY-DYIKCSJPSA-N |
| Mol Weight | 616.8 g/mol |
| Molecular Formula | C35H44N4O6 |
| Exact Mass | 616.326085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BOzDYy2ybKX |
|---|---|
| Name | N-METHYL-(R)-2-[(R)-2-(BENZYLOXYAMINO)-1-(TERT.-BUTOXYCARBONYLAMINO)-2-OXO-ETHYL]-5-PHENYLPENTANOYL-(S)-PHENYLALANINEAMIDE |
| Compound Number | 11A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H44N4O6 |
| InChI | InChI=1S/C35H44N4O6/c1-35(2,3)45-34(43)38-30(33(42)39-44-24-27-19-12-7-13-20-27)28(22-14-21-25-15-8-5-9-16-25)31(40)37-29(32(41)36-4)23-26-17-10-6-11-18-26/h5-13,15-20,28-30H,14,21-24H2,1-4H3,(H,36,41)(H,37,40)(H,38,43)(H,39,42)/t28-,29+,30-/m1/s1 |
| InChIKey | KULPNDLCXGASDY-DYIKCSJPSA-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 | 616.758 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU84324 |