Dataset

liquid chromatography-mass spectrometry (LCMS)

dataset for liquid chromatography-mass spectrometry (LCMS)

Chemical Information

molecular Image
InChI InChI=1S/C51H55Cl2N7O6/c52-42-22-18-40(19-23-42)31-58-33-46(61)55-44(28-37-12-4-1-5-13-37)50(65)56-45(29-38-14-6-2-7-15-38)51(66)57(27-11-10-26-54)34-47(62)60(32-41-20-24-43(53)25-21-41)36-49(64)59(35-48(58)63)30-39-16-8-3-9-17-39/h1-9,12-25,44-45H,10-11,26-36,54H2,(H,55,61)(H,56,65)/t44-,45-/m0/s1
SMILES NCCCCN1CC(=O)N(Cc2ccc(cc2)Cl)CC(=O)N(Cc2ccccc2)CC(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C1=O)Cc1ccccc1)Cc1ccccc1)Cc1ccc(cc1)Cl
InChI Key OSJUMAZEBBEMPZ-GSVOJQHPSA-N
Molecular Formula C51H55Cl2N7O6
Exact Mass 932.932 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OSJUMAZEBBEMPZ-GSVOJQHPSA-N/CHMO0000524
License URL
Source https://www.chemotion-repository.net/inchikey/OSJUMAZEBBEMPZ-GSVOJQHPSA-N/CHMO0000524
Version
Author Kamil Akmermer
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-11
Related Molecule
  • (3S,6S)-1-(4-aminobutyl)-3,6,13-tribenzyl-10,16-bis[(4-chlorophenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.