3-(2-carboxyethylsulfanyl)-2-oxidanyl-3-[1-(8-phenyloctyl)imidazol-2-yl]propanoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)-2-oxidanyl-3-[1-(8-phenyloctyl)imidazol-2-yl]propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-2-hydroxy-3-[1-(8-phenyloctyl)imidazol-2-yl]propanoic acid CAS Name: 3-(2-carboxyethylthio)-2-hydroxy-3-[1-(8-phenyloctyl)-2-imidazolyl]propanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-2-hydroxy-3-[1-(8-phenyloctyl)imidazol-2-yl]propanoic acid Traditional Name: 3-(2-carboxyethylthio)-2-hydroxy-3-[1-(8-phenyloctyl)imidazol-2-yl]propionic acid Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCN2C=CN=C2C(C(C(=O)O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCN2C=CN=C2C(C(C(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C23H32N2O5S/c26-19(27)13-17-31-21(20(28)23(29)30)22-24-14-16-25(22)15-9-4-2-1-3-6-10-18-11-7-5-8-12-18/h5,7-8,11-12,14,16,20-21,28H,1-4,6,9-10,13,15,17H2,(H,26,27)(H,29,30)