![N-[2-[5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN-NH-BN-HYDROCHLORIDE](/api/spectrum/2W9GyvCiPsl/structure.png?h=300&w=458 "N-[2-[5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN-NH-BN-HYDROCHLORIDE")
| SpectraBase Compound ID | HoA96wkuHMG |
|---|---|
| InChI | InChI=1S/C33H41N7O4.ClH/c34-18-10-17-27(32(43)36-20-25-13-6-2-7-14-25)38-31(42)23-40-22-30(41)35-21-29(40)28(19-24-11-4-1-5-12-24)39-33(44)37-26-15-8-3-9-16-26;/h1-9,11-16,27-29H,10,17-23,34H2,(H,35,41)(H,36,43)(H,38,42)(H2,37,39,44);1H/t27?,28-,29+;/m0./s1 |
| InChIKey | AAMDTGMBMMIQQY-YWJDIMICSA-N |
| Mol Weight | 636.2 g/mol |
| Molecular Formula | C33H42ClN7O4 |
| Exact Mass | 635.298681 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2W9GyvCiPsl |
|---|---|
| Name | N-[2-[5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN-NH-BN-HYDROCHLORIDE |
| Compound Number | 11A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42ClN7O4 |
| InChI | InChI=1S/C33H41N7O4.ClH/c34-18-10-17-27(32(43)36-20-25-13-6-2-7-14-25)38-31(42)23-40-22-30(41)35-21-29(40)28(19-24-11-4-1-5-12-24)39-33(44)37-26-15-8-3-9-16-26;/h1-9,11-16,27-29H,10,17-23,34H2,(H,35,41)(H,36,43)(H,38,42)(H2,37,39,44);1H/t27?,28-,29+;/m0./s1 |
| InChIKey | AAMDTGMBMMIQQY-YWJDIMICSA-N |
| Literature Reference Author | A.M.VALDIVIELSO,M.T.GARCIA-LOPEZ,M.GUTIERREZ-RODRIGUEZ,R.HER RANZ |
| Literature Reference Citation | MOLECULES,19,4814(2014) |
| Literature Reference DOI | 10.3390/molecules19044814 |
| Molecular Weight | 636.194 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT14766 |