Dataset

mass spectrometry (MS) ()

dataset for mass spectrometry (MS)

Chemical Info

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(Cl)cc2)CC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccc(Cl)cc2)CC(O)=N[C@@H](Cc2ccccc2)C(O)=N[C@@H](Cc2ccccc2)C1=O
InChI Key OSJUMAZEBBEMPZ-GSVOJQHPSA-N
Molecular Formula C51H55Cl2N7O6

Data and Resources

Related Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source
Version
Author Akmermer, Kamil
Maintainer chemotion-repository
Language en
MetadataCreated 2024-04-13T08:52:30.243097
MetadataModified 2024-04-13T08:52:30.243102
MetadataPublished
Field Value
Measurement Technique
Measurement Variables