liquid chromatography-mass spectrometry (LCMS) ()
URL: https://doi.org/10.14272/NBKXHRCJEFOTBU-QGSYYBFSSA-N/CHMO0000524
Dataset description:
dataset for liquid chromatography-mass spectrometry (LCMS)
Chemical Info
| InChI | InChI=1S/C56H65Cl2N7O9/c1-56(2,3)74-55(73)60-29-13-14-30-62(53(70)47(59)31-40-15-7-4-8-16-40)37-50(67)65(35-44-23-27-46(58)28-24-44)39-52(69)64(33-42-19-11-6-12-20-42)38-51(68)63(34-43-21-25-45(57)26-22-43)36-49(66)61-48(54(71)72)32-41-17-9-5-10-18-41/h4-12,15-28,47-48H,13-14,29-39,59H2,1-3H3,(H,60,73)(H,61,66)(H,71,72)/t47-,48+/m1/s1 |
|---|---|
| SMILES | CC(C)(C)OC(O)=NCCCCN(CC(=O)N(CC(=O)N(CC(=O)N(CC(O)=N[C@@H](Cc1ccccc1)C(=O)O)Cc1ccc(Cl)cc1)Cc1ccccc1)Cc1ccc(Cl)cc1)C(=O)[C@H](N)Cc1ccccc1 |
| InChI Key | NBKXHRCJEFOTBU-QGSYYBFSSA-N |
| Molecular Formula | C56H65Cl2N7O9 |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | unknown |
| Metadata last updated | April 13, 2024 |
| Created | unknown |
| Format | HTML |
| License | Attribution 4.0 International (CC BY 4.0) |
| Created | 1 month ago |
| Id | 38bda217-fd93-4ca3-84cb-206b3199e061 |
| Package id | 10-14272-nbkxhrcjefotbu-qgsyybfssa-n-chmo0000524 |
| Resource type | HTML |
| State | active |