C40H58N6O11

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/C40H58N6O11/c1-29(47)45(25-9-5-21-43-37(53)31-11-15-33(49)16-12-31)23-7-3-19-41-35(51)27-40(57,39(55)56)28-36(52)42-20-4-8-24-46(30(2)48)26-10-6-22-44-38(54)32-13-17-34(50)18-14-32/h11-18,49-50,57H,3-10,19-28H2,1-2H3,(H,41,51)(H,42,52)(H,43,53)(H,44,54)(H,55,56), and canonical SMILES descriptor[cheminf_000007]: OC(=O)C(CC(=O)NCCCCN(C(=O)C)CCCCNC(=O)c1ccc(cc1)O)(CC(=O)NCCCCN(C(=O)C)CCCCNC(=O)c1ccc(cc1)O)O, and by the IUPAC name[cheminf_000107]: .

The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:

The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-48740

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]:
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:

The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:

CHMO:0000498 | high-resolution mass spectrometry (HRMS)

BFO:0000015 | process

CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)

CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:

Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigations