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

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

Systemtic Name:3-(2-carboxyethylsulfanyl)-3-(1-dodecylimidazol-2-yl)propanoic acid
Openeye Name:3-(2-carboxyethylsulfanyl)-3-(1-dodecylimidazol-2-yl)propanoic acid
CAS Name:3-(2-carboxyethylthio)-3-(1-dodecyl-2-imidazolyl)propanoic acid
IUPAC Name:3-(2-carboxyethylsulfanyl)-3-(1-dodecylimidazol-2-yl)propanoic acid
Traditional Name:3-(2-carboxyethylthio)-3-(1-laurylimidazol-2-yl)propionic acid
Formula: C21H36N2O4S
MolecularWeight: 412.58654
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H36N2O4S/c1-2-3-4-5-6-7-8-9-10-11-14-23-15-13-22-21(23)18(17-20(26)27)28-16-12-19(24)25/h13,15,18H,2-12,14,16-17H2,1H3,(H,24,25)(H,26,27)


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