Dataset

high-performance liquid chromatography (HPLC)

dataset for high-performance liquid chromatography (HPLC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C63H66Cl2N8O6/c1-5-70(6-2)46-28-30-51-56(34-46)79-57-35-47(71(7-3)8-4)29-31-52(57)60(51)49-16-9-10-17-50(49)61(76)66-32-14-13-19-54-62(77)69-55(33-43-36-67-53-18-12-11-15-48(43)53)63(78)73(38-42-22-26-45(65)27-23-42)40-59(75)72(39-58(74)68-54)37-41-20-24-44(64)25-21-41/h9-12,15-18,20-31,34-36,54-55,67H,5-8,13-14,19,32-33,37-40H2,1-4H3,(H2-,66,68,69,74,76,77)/p+1/t54-,55-/m0/s1
SMILES CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)NCCCC[C@@H]2NC(=O)CN(Cc3ccc(cc3)Cl)C(=O)CN(C(=O)[C@@H](NC2=O)Cc2c[nH]c3c2cccc3)Cc2ccc(cc2)Cl)ccc(=[N+](CC)CC)c1)CC
InChI Key ADNNTHJMNMTJMB-XFSNFYKNSA-O
Molecular Formula C63H67Cl2N8O6+
Exact Mass 1103.162 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ADNNTHJMNMTJMB-XFSNFYKNSA-O/CHMO0001009
License URL
Source https://www.chemotion-repository.net/inchikey/ADNNTHJMNMTJMB-XFSNFYKNSA-O/CHMO0001009
Version
Author Claudine Herlan
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:35:37.394887
MetadataModified 2024-09-07T19:50:16.099908
MetadataPublished 2021-05-26
Field Value
Measurement Technique high-performance liquid chromatography
Measurement Variables
Data-Source Molecule ID Data-Source
155919822 PubChem
The data in this table is sourced from UniChem at EBI.