![(S)-2-Azido-N-(2-benzoyl-phenyl)-N-[(4-bromo-phenyl)-cyclohexylcarbamoyl-methyl]-3-phenyl-propionamide](/api/spectrum/BjmGjYwvRfj/structure.png?h=300&w=458 "(S)-2-Azido-N-(2-benzoyl-phenyl)-N-[(4-bromo-phenyl)-cyclohexylcarbamoyl-methyl]-3-phenyl-propionamide")
| SpectraBase Compound ID | BibsX47DqEj |
|---|---|
| InChI | InChI=1S/C36H34BrN5O3/c37-28-22-20-26(21-23-28)33(35(44)39-29-16-8-3-9-17-29)42(36(45)31(40-41-38)24-25-12-4-1-5-13-25)32-19-11-10-18-30(32)34(43)27-14-6-2-7-15-27/h1-2,4-7,10-15,18-23,29,31,33H,3,8-9,16-17,24H2,(H,39,44)/t31-,33?/m0/s1 |
| InChIKey | NTETVYJWDUXYRY-MOJIJOCKSA-N |
| Mol Weight | 664.6 g/mol |
| Molecular Formula | C36H34BrN5O3 |
| Exact Mass | 663.184503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BjmGjYwvRfj |
|---|---|
| Name | (S)-2-Azido-N-(2-benzoyl-phenyl)-N-[(4-bromo-phenyl)-cyclohexylcarbamoyl-methyl]-3-phenyl-propionamide |
| Alternate Name(s) | N-Cyclohexyl 2-N-(S)-2-azido-3-phenylpropionyl-N-(2-benzoylphenyl)-(R/S)-2-(4-bromophenyl)acetamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H34BrN5O3 |
| InChI | InChI=1S/C36H34BrN5O3/c37-28-22-20-26(21-23-28)33(35(44)39-29-16-8-3-9-17-29)42(36(45)31(40-41-38)24-25-12-4-1-5-13-25)32-19-11-10-18-30(32)34(43)27-14-6-2-7-15-27/h1-2,4-7,10-15,18-23,29,31,33H,3,8-9,16-17,24H2,(H,39,44)/t31-,33?/m0/s1 |
| InChIKey | NTETVYJWDUXYRY-MOJIJOCKSA-N |
| Molecular Weight | 664.604 g/mol |
| SMILES | N(C(C(N(C([C@@](N=[N+]=[N-])(Cc1ccccc1)[H])=O)c1c(C(=O)c2ccccc2)cccc1)c1ccc(cc1)Br)=O)C1CCCCC1 |
| SPLASH | splash10-02tc-4009410000-f9df0db3f38a9aaca790 |
| Source of Spectrum | F-66-6786-10a |
| Wiley ID | 1684236 |