Dataset

high-performance liquid chromatography (HPLC)

Chemical Info

InChI	InChI=1S/C61H67N7O6/c1-5-64(6-2)47-30-32-51-54(37-47)74-55-38-48(65(7-3)8-4)31-33-52(55)59(51)49-28-18-19-29-50(49)60(72)62-34-20-21-35-66-41-56(69)63-53(36-44-22-12-9-13-23-44)61(73)68(40-46-26-16-11-17-27-46)43-58(71)67(42-57(66)70)39-45-24-14-10-15-25-45/h9-19,22-33,37-38,53H,5-8,20-21,34-36,39-43H2,1-4H3,(H-,62,63,69,72)/p+1/t53-/m0/s1
SMILES	CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)NCCCCN2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(CC(=O)N(CC2=O)Cc2ccccc2)Cc2ccccc2)ccc(=[N+](CC)CC)c1)CC
InChI Key	DNKAAEPGDFHJIG-DTSDQNDWSA-O
Molecular Formula	C61H68N7O6+
Exact Mass	995.236 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DNKAAEPGDFHJIG-DTSDQNDWSA-O/CHMO0001009
License URL
Source	https://www.chemotion-repository.net/inchikey/DNKAAEPGDFHJIG-DTSDQNDWSA-O/CHMO0001009
Version
Author	Claudine Herlan
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:38:12.629399
MetadataModified	2024-09-07T19:53:37.812056
MetadataPublished	2021-05-26

Field	Value
Measurement Technique	high-performance liquid chromatography
Measurement Variables

Data-Source Molecule ID	Data-Source
155919837	PubChem
The data in this table is sourced from UniChem at EBI.