Dataset

high-performance liquid chromatography (HPLC)

dataset for high-performance liquid chromatography (HPLC)

Chemical Information

molecular Image
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
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
MetadataPublished 2021-05-26
Related Molecule
  • [9-[2-[4-[(9S)-4,9-dibenzyl-7-butyl-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclododec-1-yl]butylcarbamoyl]phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethylazanium
    • Field Value
    Measurement Technique high-performance liquid chromatography
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155919833 pubchem
    The data in this table is sourced from UniChem at EBI.