![5-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-2-hydroxybenzoyl Trp-Ala-Tyr Dev](/api/spectrum/HaPnSNkHCqx/structure.png?h=300&w=458 "5-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-2-hydroxybenzoyl Trp-Ala-Tyr Dev")
| SpectraBase Compound ID | 73psmeFc3mw |
|---|---|
| InChI | InChI=1S/C40H40N6O7/c1-21-15-31-32(16-22(21)2)44-36(43-31)25-11-14-35(48)29(18-25)38(50)45-33(19-26-20-41-30-8-6-5-7-28(26)30)39(51)42-23(3)37(49)46-34(40(52)53-4)17-24-9-12-27(47)13-10-24/h5-16,18,20,23,33-34,41,47-48H,17,19H2,1-4H3,(H,42,51)(H,43,44)(H,45,50)(H,46,49) |
| InChIKey | ZUYNXVUQUGSGHN-UHFFFAOYSA-N |
| Mol Weight | 716.8 g/mol |
| Molecular Formula | C40H40N6O7 |
| Exact Mass | 716.295848 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HaPnSNkHCqx |
|---|---|
| Name | 5-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-2-hydroxybenzoyl Trp-Ala-Tyr Dev |
| Alternate Name(s) | Methyl 2-(2-(2-(5-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-2-hydroxybenzamido)-3-(1H-indol-3-yl)propanamido)propanamido)-3-(4-hydroxyphenyl)propanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H40N6O7 |
| InChI | InChI=1S/C40H40N6O7/c1-21-15-31-32(16-22(21)2)44-36(43-31)25-11-14-35(48)29(18-25)38(50)45-33(19-26-20-41-30-8-6-5-7-28(26)30)39(51)42-23(3)37(49)46-34(40(52)53-4)17-24-9-12-27(47)13-10-24/h5-16,18,20,23,33-34,41,47-48H,17,19H2,1-4H3,(H,42,51)(H,43,44)(H,45,50)(H,46,49) |
| InChIKey | ZUYNXVUQUGSGHN-UHFFFAOYSA-N |
| Molecular Weight | 716.795 g/mol |
| SMILES | [nH]1c2cc(c(cc2nc1-c1ccc(c(c1)C(NC(Cc1c[nH]c2c1cccc2)C(NC(C(NC(Cc1ccc(cc1)O)C(=O)OC)=O)C)=O)=O)O)C)C |
| SPLASH | splash10-0uxr-5620912100-1214d6f2f5927b903076 |
| Source of Spectrum | EMC-42-792-8e |
| Wiley ID | 1735557 |