Dataset

high-performance liquid chromatography (HPLC)

dataset for high-performance liquid chromatography (HPLC)

Chemical Information

molecular Image
InChI InChI=1S/C79H85N9O8/c1-5-83(6-2)62-40-42-66-70(48-62)96-71-49-63(84(7-3)8-4)41-43-67(71)76(66)64-38-24-25-39-65(64)77(93)80-44-26-27-45-85-54-73(90)87(51-60-34-20-12-21-35-60)56-75(92)88(52-61-36-22-13-23-37-61)55-74(91)86(50-59-32-18-11-19-33-59)53-72(89)81-68(46-57-28-14-9-15-29-57)78(94)82-69(79(85)95)47-58-30-16-10-17-31-58/h9-25,28-43,48-49,68-69H,5-8,26-27,44-47,50-56H2,1-4H3,(H2-,80,81,82,89,93,94)/p+1/t68-,69-/m0/s1
SMILES CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)NCCCCN2CC(=O)N(Cc3ccccc3)CC(=O)N(Cc3ccccc3)CC(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C2=O)Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)ccc(=[N+](CC)CC)c1)CC
InChI Key KRSDACIKNAJBRS-NNAPYRDBSA-O
Molecular Formula C79H86N9O8+
Exact Mass 1289.584 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KRSDACIKNAJBRS-NNAPYRDBSA-O/CHMO0001009
License URL
Source https://www.chemotion-repository.net/inchikey/KRSDACIKNAJBRS-NNAPYRDBSA-O/CHMO0001009
Version
Author Claudine Herlan
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-05-26
Related Molecule
  • [6-(diethylamino)-9-[2-[4-[(3S,6S)-3,6,10,13,16-pentabenzyl-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-1-yl]butylcarbamoyl]phenyl]xanthen-3-ylidene]-diethylazanium
    • Field Value
    Measurement Technique high-performance liquid chromatography
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155919836 PubChem
    The data in this table is sourced from UniChem at EBI.