mass spectrometry (MS)
URL: https://www.chemotion-repository.net/inchikey/KRSDACIKNAJBRS-NNAPYRDBSA-O/CHMO0000470
Chemical Info
| InChI | InChI=1S/C79H85N9O8/c1-5-83(6-2)62-40-42-66-70(48-62)96-71-49-63(84(7-3)8-4)41-43-67(71)76(66)64-38-24-25-39-65(64)77(93)80-44-26-27-45-85-54-73(90)87(51-60-34-20-12-21-35-60)56-75(92)88(52-61-36-22-13-23-37-61)55-74(91)86(50-59-32-18-11-19-33-59)53-72(89)81-68(46-57-28-14-9-15-29-57)78(94)82-69(79(85)95)47-58-30-16-10-17-31-58/h9-25,28-43,48-49,68-69H,5-8,26-27,44-47,50-56H2,1-4H3,(H2-,80,81,82,89,93,94)/p+1/t68-,69-/m0/s1 |
|---|---|
| SMILES | CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)NCCCCN2CC(=O)N(Cc3ccccc3)CC(=O)N(Cc3ccccc3)CC(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C2=O)Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)ccc(=[N+](CC)CC)c1)CC |
| InChI Key | KRSDACIKNAJBRS-NNAPYRDBSA-O |
| Molecular Formula | C79H86N9O8+ |
| Exact Mass | 1289.584 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 7, 2024 |
| Metadata last updated | September 7, 2024 |
| Created | September 7, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | 153c9c64-1ff2-4881-9ab4-d6b3d816e2ea |
| Package id | 10-14272-krsdaciknajbrs-nnapyrdbsa-o-chmo0000470 |
| Resource type | HTML |
| State | active |