Dataset

high-performance liquid chromatography (HPLC)

dataset for high-performance liquid chromatography (HPLC)

Chemical Information

molecular Image
InChI InChI=1S/C73H89N9O8/c1-7-13-41-79-49-66(83)75-62(44-53-28-18-15-19-29-53)72(88)76-63(45-54-30-20-16-21-31-54)73(89)81(51-69(86)82(48-55-32-22-17-23-33-55)52-68(85)80(42-14-8-2)50-67(79)84)43-27-26-40-74-71(87)59-35-25-24-34-58(59)70-60-38-36-56(77(9-3)10-4)46-64(60)90-65-47-57(37-39-61(65)70)78(11-5)12-6/h15-25,28-39,46-47,62-63H,7-14,26-27,40-45,48-52H2,1-6H3,(H2-,74,75,76,83,87,88)/p+1/t62-,63-/m0/s1
SMILES CCCCN1CC(=O)N(CCCC)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N(CC(=O)N(CC1=O)Cc1ccccc1)CCCCNC(=O)c1ccccc1c1c2-c(oc3c1ccc(c3)N(CC)CC)cc(=[N+](CC)CC)cc2)Cc1ccccc1
InChI Key JATQQYVBRXIZHI-NTGUUYCISA-O
Molecular Formula C73H90N9O8+
Exact Mass 1221.551 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JATQQYVBRXIZHI-NTGUUYCISA-O/CHMO0001009
License URL
Source https://www.chemotion-repository.net/inchikey/JATQQYVBRXIZHI-NTGUUYCISA-O/CHMO0001009
Version
Author Claudine Herlan
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-05-26
Related Molecule
  • [6-(diethylamino)-9-[2-[4-[(3S,6S)-3,6,16-tribenzyl-10,13-dibutyl-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
    155919834 PubChem
    The data in this table is sourced from UniChem at EBI.