Dataset
high-performance liquid chromatography (HPLC)
Chemical Info
InChI | InChI=1S/C58H69N7O6/c1-6-11-33-64-40-55(68)65(38-43-24-16-13-17-25-43)41-54(67)63(39-53(66)60-50(58(64)70)35-42-22-14-12-15-23-42)34-21-20-32-59-57(69)47-27-19-18-26-46(47)56-48-30-28-44(61(7-2)8-3)36-51(48)71-52-37-45(29-31-49(52)56)62(9-4)10-5/h12-19,22-31,36-37,50H,6-11,20-21,32-35,38-41H2,1-5H3,(H-,59,60,66,69)/p+1/t50-/m0/s1 |
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SMILES | CCCCN1CC(=O)N(Cc2ccccc2)CC(=O)N(CC(=O)N[C@H](C1=O)Cc1ccccc1)CCCCNC(=O)c1ccccc1c1c2-c(oc3c1ccc(c3)N(CC)CC)cc(=[N+](CC)CC)cc2 |
InChI Key | CDBXZLGICVNINP-DPDRHGIRSA-O |
Molecular Formula | C58H70N7O6+ |
Exact Mass | 961.220 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/CDBXZLGICVNINP-DPDRHGIRSA-O/CHMO0001009 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/CDBXZLGICVNINP-DPDRHGIRSA-O/CHMO0001009 |
Version | |
Author | Claudine Herlan |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T04:37:36.848871 |
MetadataModified | 2024-09-07T19:52:51.482743 |
MetadataPublished | 2021-05-26 |
Field | Value |
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Measurement Technique | high-performance liquid chromatography |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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155919833 | PubChem |
The data in this table is sourced from UniChem at EBI. |