Dataset

high-performance liquid chromatography (HPLC)

Chemical Info

InChI	InChI=1S/C55H71N7O7/c1-7-13-31-61-36-50(64)57-46(54(67)58-47(33-38-22-26-41(63)27-23-38)55(68)62(32-14-8-2)37-51(61)65)21-17-18-30-56-53(66)43-20-16-15-19-42(43)52-44-28-24-39(59(9-3)10-4)34-48(44)69-49-35-40(25-29-45(49)52)60(11-5)12-6/h15-16,19-20,22-29,34-35,46-47H,7-14,17-18,21,30-33,36-37H2,1-6H3,(H3-,56,57,58,63,64,66,67)/p+1/t46-,47-/m0/s1
SMILES	CCCCN1CC(=O)N[C@@H](CCCCNC(=O)c2ccccc2c2c3-c(oc4c2ccc(c4)N(CC)CC)cc(=[N+](CC)CC)cc3)C(=O)N[C@H](C(=O)N(CC1=O)CCCC)Cc1ccc(cc1)O
InChI Key	CMRIMBCQYAJEJN-MVRBIKRMSA-O
Molecular Formula	C55H72N7O7+
Exact Mass	943.203 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CMRIMBCQYAJEJN-MVRBIKRMSA-O/CHMO0001009
License URL
Source	https://www.chemotion-repository.net/inchikey/CMRIMBCQYAJEJN-MVRBIKRMSA-O/CHMO0001009
Version
Author	Claudine Herlan
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:36:09.176497
MetadataModified	2024-09-07T19:50:57.662723
MetadataPublished	2021-05-26

Field	Value
Measurement Technique	high-performance liquid chromatography
Measurement Variables

Data-Source Molecule ID	Data-Source
155919831	PubChem
The data in this table is sourced from UniChem at EBI.