![4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzoyl Phe-Val-Pro Dev](/api/spectrum/IXKb025HtJv/structure.png?h=300&w=458 "4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzoyl Phe-Val-Pro Dev")
| SpectraBase Compound ID | 1wZpJeZR5tV |
|---|---|
| InChI | InChI=1S/C35H37I2N5O5/c1-18(2)30(34(45)42-12-8-11-28(42)35(46)47)41-33(44)27(15-21-9-6-5-7-10-21)40-32(43)22-16-23(36)29(24(37)17-22)31-38-25-13-19(3)20(4)14-26(25)39-31/h5-7,9-10,13-14,16-18,27-28,30H,8,11-12,15H2,1-4H3,(H,38,39)(H,40,43)(H,41,44)(H,46,47) |
| InChIKey | SDZWUTSTZXIJKU-UHFFFAOYSA-N |
| Mol Weight | 861.5 g/mol |
| Molecular Formula | C35H37I2N5O5 |
| Exact Mass | 861.088409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IXKb025HtJv |
|---|---|
| Name | 4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzoyl Phe-Val-Pro Dev |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H37I2N5O5 |
| InChI | InChI=1S/C35H37I2N5O5/c1-18(2)30(34(45)42-12-8-11-28(42)35(46)47)41-33(44)27(15-21-9-6-5-7-10-21)40-32(43)22-16-23(36)29(24(37)17-22)31-38-25-13-19(3)20(4)14-26(25)39-31/h5-7,9-10,13-14,16-18,27-28,30H,8,11-12,15H2,1-4H3,(H,38,39)(H,40,43)(H,41,44)(H,46,47) |
| InChIKey | SDZWUTSTZXIJKU-UHFFFAOYSA-N |
| Molecular Weight | 861.520 g/mol |
| SMILES | [nH]1c2cc(c(cc2nc1-c1c(cc(C(NC(C(NC(C(N2C(C(=O)O)CCC2)=O)C(C)C)=O)Cc2ccccc2)=O)cc1I)I)C)C |
| SPLASH | splash10-0002-4401129220-49f9e77cd74602857021 |
| Source of Spectrum | EMC-42-794-6ga |
| Synonyms | 1-(2-(2-(4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-3,5-diiodobenzamido)-3-phenylpropanamido)-3-methylbutanoyl)pyrrolidine-2-carboxylic acid |
| Wiley ID | 1734304 |