![4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-benzoyl Tyr-Gly-Iie-Ala dev](/api/spectrum/6gj7IUGXNeD/structure.png?h=300&w=458 "4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-benzoyl Tyr-Gly-Iie-Ala dev")
| SpectraBase Compound ID | 4MmEktdrPCA |
|---|---|
| InChI | InChI=1S/C39H45N7O6/c1-7-21(2)34(38(50)42-24(5)39(51)52-6)46-33(47)20-41-37(49)32(18-27-19-40-29-11-9-8-10-28(27)29)45-36(48)26-14-12-25(13-15-26)35-43-30-16-22(3)23(4)17-31(30)44-35/h8-17,19,21,24,32,34,40H,7,18,20H2,1-6H3,(H,41,49)(H,42,50)(H,43,44)(H,45,48)(H,46,47) |
| InChIKey | BCOOGSADSDZYQA-UHFFFAOYSA-N |
| Mol Weight | 707.8 g/mol |
| Molecular Formula | C39H45N7O6 |
| Exact Mass | 707.343132 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6gj7IUGXNeD |
|---|---|
| Name | 4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-benzoyl Tyr-Gly-Iie-Ala dev |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H45N7O6 |
| InChI | InChI=1S/C39H45N7O6/c1-7-21(2)34(38(50)42-24(5)39(51)52-6)46-33(47)20-41-37(49)32(18-27-19-40-29-11-9-8-10-28(27)29)45-36(48)26-14-12-25(13-15-26)35-43-30-16-22(3)23(4)17-31(30)44-35/h8-17,19,21,24,32,34,40H,7,18,20H2,1-6H3,(H,41,49)(H,42,50)(H,43,44)(H,45,48)(H,46,47) |
| InChIKey | BCOOGSADSDZYQA-UHFFFAOYSA-N |
| Molecular Weight | 707.832 g/mol |
| SMILES | [nH]1c2c(nc1-c1ccc(C(NC(Cc3c[nH]c4c3cccc4)C(NCC(NC(C(NC(C(=O)OC)C)=O)C(CC)C)=O)=O)=O)cc1)cc(c(c2)C)C |
| SPLASH | splash10-03di-5420900000-4a50b1ac5f86a7171dc8 |
| Source of Spectrum | EMC-42-787-5f |
| Synonyms | Methyl 3-((1H-indol-3-yl)methyl)-9-(sec-butyl)-1-(4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)phenyl)-12-methyl-1,4,7,10-tetraoxo-2,5,8,11-tetraazatridecan-13-oate |
| Wiley ID | 1735069 |