Dataset

high-performance liquid chromatography (HPLC)

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

Chemical Info

molecular Image
InChI InChI=1S/C63H68N8O6/c1-5-68(6-2)46-30-32-51-56(36-46)77-57-37-47(69(7-3)8-4)31-33-52(57)60(51)49-26-15-16-27-50(49)61(74)64-34-20-19-29-54-62(75)67-55(35-45-38-65-53-28-18-17-25-48(45)53)63(76)71(40-44-23-13-10-14-24-44)42-59(73)70(41-58(72)66-54)39-43-21-11-9-12-22-43/h9-18,21-28,30-33,36-38,54-55,65H,5-8,19-20,29,34-35,39-42H2,1-4H3,(H2-,64,66,67,72,74,75)/p+1/t54-,55-/m0/s1
SMILES CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)NCCCC[C@@H]2NC(=O)CN(Cc3ccccc3)C(=O)CN(C(=O)[C@@H](NC2=O)Cc2c[nH]c3c2cccc3)Cc2ccccc2)ccc(=[N+](CC)CC)c1)CC
InChI Key VYVOWDOXIRCKHY-XFSNFYKNSA-O
Molecular Formula C63H69N8O6+
Exact Mass 1034.272 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VYVOWDOXIRCKHY-XFSNFYKNSA-O/CHMO0001009
License URL
Source https://www.chemotion-repository.net/inchikey/VYVOWDOXIRCKHY-XFSNFYKNSA-O/CHMO0001009
Version
Author Claudine Herlan
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:35:07.008555
MetadataModified 2024-09-07T19:49:39.019962
MetadataPublished 2021-05-26
Field Value
Measurement Technique high-performance liquid chromatography
Measurement Variables
Data-Source Molecule ID Data-Source
155919832 PubChem
The data in this table is sourced from UniChem at EBI.