![N-[2-[(2S)-[(1S)-AMINO-2-PHENYLETHYL]-5-OXOPIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN-HYDROCHLORIDE](/api/spectrum/ABVPtsBP7jN/structure.png?h=300&w=458 "N-[2-[(2S)-[(1S)-AMINO-2-PHENYLETHYL]-5-OXOPIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN-HYDROCHLORIDE")
| SpectraBase Compound ID | Cjwwt09w4Ew |
|---|---|
| InChI | InChI=1S/C34H42N6O5.ClH/c35-28(19-25-11-4-1-5-12-25)30-21-37-31(41)22-40(30)23-32(42)39-29(33(43)38-20-26-13-6-2-7-14-26)17-10-18-36-34(44)45-24-27-15-8-3-9-16-27;/h1-9,11-16,28-30H,10,17-24,35H2,(H,36,44)(H,37,41)(H,38,43)(H,39,42);1H/t28-,29?,30-;/m0./s1 |
| InChIKey | FGQSZOKHGAZDIZ-CFWKJEKJSA-N |
| Mol Weight | 651.2 g/mol |
| Molecular Formula | C34H43ClN6O5 |
| Exact Mass | 650.298346 g/mol |
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| SpectraBase Spectrum ID | ABVPtsBP7jN |
|---|---|
| Name | N-[2-[(2S)-[(1S)-AMINO-2-PHENYLETHYL]-5-OXOPIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN-HYDROCHLORIDE |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H43ClN6O5 |
| InChI | InChI=1S/C34H42N6O5.ClH/c35-28(19-25-11-4-1-5-12-25)30-21-37-31(41)22-40(30)23-32(42)39-29(33(43)38-20-26-13-6-2-7-14-26)17-10-18-36-34(44)45-24-27-15-8-3-9-16-27;/h1-9,11-16,28-30H,10,17-24,35H2,(H,36,44)(H,37,41)(H,38,43)(H,39,42);1H/t28-,29?,30-;/m0./s1 |
| InChIKey | FGQSZOKHGAZDIZ-CFWKJEKJSA-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 | 651.206 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT14755 |