2-azanyl-3-methyl-3-(phenylmethylsulfanyl)nonanoic acid

Systemtic Name: 2-azanyl-3-methyl-3-(phenylmethylsulfanyl)nonanoic acid Openeye Name: 2-amino-3-benzylsulfanyl-3-methyl-nonanoic acid CAS Name: 2-amino-3-methyl-3-(phenylmethylthio)nonanoic acid IUPAC Name: 2-amino-3-benzylsulfanyl-3-methylnonanoic acid Traditional Name: 2-amino-3-(benzylthio)-3-methyl-pelargonic acid Formula: C17H27NO2S MolecularWeight: 309.46678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C(C(=O)O)N)SCC1=CC=CC=C1

Isomeric SMILES

CCCCCCC(C)(C(C(=O)O)N)SCC1=CC=CC=C1

InChI

InChI=1S/C17H27NO2S/c1-3-4-5-9-12-17(2,15(18)16(19)20)21-13-14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12-13,18H2,1-2H3,(H,19,20)