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tert-butyl 4-((4-(N-(4-(3,4-bis(benzyloxy)benzamido)butyl)acetamido)butyl)amino)-2-(2-((4-(N-(4-(3,4-bis(benzyloxy)benzamido)butyl)acetamido)butyl)amino)-2-oxoethyl)-2-hydroxy-4-oxobutanoate

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DataCite Commons2025-06-02 更新2025-04-09 收录
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https://www.chemotion-repository.net/inchikey/AEWDTTVEXLIMOR-UHFFFAOYSA-N.1
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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/C72H90N6O13/c1-54(79)77(44-24-20-40-75-68(83)60-34-36-62(87-50-56-26-10-6-11-27-56)64(46-60)89-52-58-30-14-8-15-31-58)42-22-18-38-73-66(81)48-72(86,70(85)91-71(3,4)5)49-67(82)74-39-19-23-43-78(55(2)80)45-25-21-41-76-69(84)61-35-37-63(88-51-57-28-12-7-13-29-57)65(47-61)90-53-59-32-16-9-17-33-59/h6-17,26-37,46-47,86H,18-25,38-45,48-53H2,1-5H3,(H,73,81)(H,74,82)(H,75,83)(H,76,84), and canonical SMILES descriptor[cheminf_000007]: O=C(CC(C(=O)OC(C)(C)C)(CC(=O)NCCCCN(C(=O)C)CCCCNC(=O)c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)O)NCCCCN(C(=O)C)CCCCNC(=O)c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1, 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-48743 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:0000470 | mass spectrometry (MS) 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
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chemotion-repository
创建时间:
2024-12-03
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