Dataset

high-performance liquid chromatography (HPLC)

Chemical Info

InChI	InChI=1S/C61H66ClN7O6/c1-5-65(6-2)47-29-31-51-54(36-47)75-55-37-48(66(7-3)8-4)30-32-52(55)59(51)49-23-15-16-24-50(49)60(73)63-33-17-18-34-67-41-58(72)68(38-44-21-13-10-14-22-44)40-56(70)64-53(35-43-19-11-9-12-20-43)61(74)69(42-57(67)71)39-45-25-27-46(62)28-26-45/h9-16,19-32,36-37,53H,5-8,17-18,33-35,38-42H2,1-4H3,(H-,63,64,70,73)/p+1/t53-/m0/s1
SMILES	CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)NCCCCN2CC(=O)N(Cc3ccccc3)CC(=O)N[C@H](C(=O)N(CC2=O)Cc2ccc(cc2)Cl)Cc2ccccc2)ccc(=[N+](CC)CC)c1)CC
InChI Key	DNBLUHBZPFSFBP-DTSDQNDWSA-O
Molecular Formula	C61H67ClN7O6+
Exact Mass	1029.681 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DNBLUHBZPFSFBP-DTSDQNDWSA-O/CHMO0001009
License URL
Source	https://www.chemotion-repository.net/inchikey/DNBLUHBZPFSFBP-DTSDQNDWSA-O/CHMO0001009
Version
Author	Claudine Herlan
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:38:15.653617
MetadataModified	2024-09-07T19:53:43.099522
MetadataPublished	2021-05-26

Field	Value
Measurement Technique	high-performance liquid chromatography
Measurement Variables

Data-Source Molecule ID	Data-Source
155919825	PubChem
The data in this table is sourced from UniChem at EBI.