3-(2-carboxyethylsulfanyl)-3-(1-dodecylimidazol-2-yl)-2-oxidanyl-propanoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)-3-(1-dodecylimidazol-2-yl)-2-oxidanyl-propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-3-(1-dodecylimidazol-2-yl)-2-hydroxy-propanoic acid CAS Name: 3-(2-carboxyethylthio)-3-(1-dodecyl-2-imidazolyl)-2-hydroxypropanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-3-(1-dodecylimidazol-2-yl)-2-hydroxypropanoic acid Traditional Name: 3-(2-carboxyethylthio)-2-hydroxy-3-(1-laurylimidazol-2-yl)propionic acid Formula: C21H36N2O5S MolecularWeight: 428.58594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C=CN=C1C(C(C(=O)O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCN1C=CN=C1C(C(C(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C21H36N2O5S/c1-2-3-4-5-6-7-8-9-10-11-14-23-15-13-22-20(23)19(18(26)21(27)28)29-16-12-17(24)25/h13,15,18-19,26H,2-12,14,16H2,1H3,(H,24,25)(H,27,28)