Dataset

high-performance liquid chromatography (HPLC)

dataset for high-performance liquid chromatography (HPLC)

Chemical Information

molecular Image
InChI InChI=1S/C61H67N7O7/c1-5-65(6-2)45-27-31-50-54(37-45)75-55-38-46(66(7-3)8-4)28-32-51(55)58(50)48-23-15-16-24-49(48)59(72)62-33-17-18-34-67-40-56(70)63-52(35-43-25-29-47(69)30-26-43)60(73)64-53(36-42-19-11-9-12-20-42)61(74)68(41-57(67)71)39-44-21-13-10-14-22-44/h9-16,19-32,37-38,52-53H,5-8,17-18,33-36,39-41H2,1-4H3,(H3-,62,63,64,69,70,72,73)/p+1/t52-,53-/m0/s1
SMILES CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)NCCCCN2CC(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@H](C(=O)N(CC2=O)Cc2ccccc2)Cc2ccccc2)ccc(=[N+](CC)CC)c1)CC
InChI Key FJZXODXLOUCADV-BNLBYEDMSA-O
Molecular Formula C61H68N7O7+
Exact Mass 1011.235 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FJZXODXLOUCADV-BNLBYEDMSA-O/CHMO0001009
License URL
Source https://www.chemotion-repository.net/inchikey/FJZXODXLOUCADV-BNLBYEDMSA-O/CHMO0001009
Version
Author Claudine Herlan
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-05-26
Related Molecule
  • [9-[2-[4-[(6S,9S)-4,6-dibenzyl-9-[(4-hydroxyphenyl)methyl]-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
    155919830 pubchem
    The data in this table is sourced from UniChem at EBI.