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

Systemtic Name: 2-azanyl-3-methyl-3-(phenylmethylsulfanyl)decanoic acid Openeye Name: 2-amino-3-benzylsulfanyl-3-methyl-decanoic acid CAS Name: 2-amino-3-methyl-3-(phenylmethylthio)decanoic acid IUPAC Name: 2-amino-3-benzylsulfanyl-3-methyldecanoic acid Traditional Name: 2-amino-3-(benzylthio)-3-methyl-capric acid Formula: C18H29NO2S MolecularWeight: 323.49336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO2S/c1-3-4-5-6-10-13-18(2,16(19)17(20)21)22-14-15-11-8-7-9-12-15/h7-9,11-12,16H,3-6,10,13-14,19H2,1-2H3,(H,20,21)