2-azanyl-4-methylsulfanyl-dodecanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-dodecanoic acid Openeye Name: 2-amino-4-methylsulfanyl-dodecanoic acid CAS Name: 2-amino-4-(methylthio)dodecanoic acid IUPAC Name: 2-amino-4-methylsulfanyldodecanoic acid Traditional Name: 2-amino-4-(methylthio)lauric acid Formula: C13H27NO2S MolecularWeight: 261.42398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(C(=O)O)N)SC

Isomeric SMILES

CCCCCCCCC(CC(C(=O)O)N)SC

InChI

InChI=1S/C13H27NO2S/c1-3-4-5-6-7-8-9-11(17-2)10-12(14)13(15)16/h11-12H,3-10,14H2,1-2H3,(H,15,16)