5-methyl-2-(piperidin-4-ylmethyl)-3-sulfanyl-hexanoic acid

Systemtic Name: 5-methyl-2-(piperidin-4-ylmethyl)-3-sulfanyl-hexanoic acid Openeye Name: 5-methyl-2-(4-piperidylmethyl)-3-sulfanyl-hexanoic acid CAS Name: 3-mercapto-5-methyl-2-(4-piperidinylmethyl)hexanoic acid IUPAC Name: 5-methyl-2-(piperidin-4-ylmethyl)-3-sulfanylhexanoic acid Traditional Name: 3-mercapto-5-methyl-2-(4-piperidylmethyl)hexanoic acid Formula: C13H25NO2S MolecularWeight: 259.4081

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC1CCNCC1)C(=O)O)S

Isomeric SMILES

CC(C)CC(C(CC1CCNCC1)C(=O)O)S

InChI

InChI=1S/C13H25NO2S/c1-9(2)7-12(17)11(13(15)16)8-10-3-5-14-6-4-10/h9-12,14,17H,3-8H2,1-2H3,(H,15,16)