(Z)-4-[12-[[(Z)-3-carboxyacryloyl]amino]dodecylamino]-4-keto-but-2-enoic acid

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/C20H32N2O6/c23-17(11-13-19(25)26)21-15-9-7-5-3-1-2-4-6-8-10-16-22-18(24)12-14-20(27)28/h11-14H,1-10,15-16H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/b13-11-,14-12-, and canonical SMILES descriptor[cheminf_000007]: O=C(/C=C\C(=O)O)NCCCCCCCCCCCCNC(=O)/C=C\C(=O)O, and by the IUPAC name[cheminf_000107]: (Z)-4-[12-[[(Z)-3-carboxyprop-2-enoyl]amino]dodecylamino]-4-oxobut-2-enoic acid. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: O=C(/C=C\C(=O)O)NCCCCCCCCCCCCNC(=O)/C=C\C(=O)O 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-14917 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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY) CHMO:0000690 | thermogravimetry (TG) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000630 | infrared absorption spectroscopy (IR) 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