Dataset
high-performance liquid chromatography (HPLC)
Chemical Info
InChI | InChI=1S/C51H54Cl3N7O6/c52-41-19-13-38(14-20-41)29-59-32-46(62)56-44(27-36-9-3-1-4-10-36)50(66)57-45(28-37-11-5-2-6-12-37)51(67)58(26-8-7-25-55)33-47(63)60(30-39-15-21-42(53)22-16-39)35-49(65)61(34-48(59)64)31-40-17-23-43(54)24-18-40/h1-6,9-24,44-45H,7-8,25-35,55H2,(H,56,62)(H,57,66)/t44-,45-/m0/s1 |
---|---|
SMILES | NCCCCN1CC(=O)N(Cc2ccc(cc2)Cl)CC(=O)N(Cc2ccc(cc2)Cl)CC(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C1=O)Cc1ccccc1)Cc1ccccc1)Cc1ccc(cc1)Cl |
InChI Key | JMNJVTCCUUBZIL-GSVOJQHPSA-N |
Molecular Formula | C51H54Cl3N7O6 |
Exact Mass | 967.377 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/JMNJVTCCUUBZIL-GSVOJQHPSA-N/CHMO0001009 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/JMNJVTCCUUBZIL-GSVOJQHPSA-N/CHMO0001009 |
Version | |
Author | Claudine Herlan |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T04:34:37.756639 |
MetadataModified | 2024-09-07T19:48:59.140497 |
MetadataPublished | 2021-05-26 |
Field | Value |
---|---|
Measurement Technique | high-performance liquid chromatography |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
155919826 | PubChem |
The data in this table is sourced from UniChem at EBI. |