2-formamido-3-methyl-3-(phenylmethylsulfanyl)octanoic acid

Systemtic Name: 2-formamido-3-methyl-3-(phenylmethylsulfanyl)octanoic acid Openeye Name: 3-benzylsulfanyl-2-formamido-3-methyl-octanoic acid CAS Name: 2-formamido-3-methyl-3-(phenylmethylthio)octanoic acid IUPAC Name: 3-benzylsulfanyl-2-formamido-3-methyloctanoic acid Traditional Name: 3-(benzylthio)-2-formamido-3-methyl-caprylic acid Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C(C(=O)O)NC=O)SCC1=CC=CC=C1

Isomeric SMILES

CCCCCC(C)(C(C(=O)O)NC=O)SCC1=CC=CC=C1

InChI

InChI=1S/C17H25NO3S/c1-3-4-8-11-17(2,15(16(20)21)18-13-19)22-12-14-9-6-5-7-10-14/h5-7,9-10,13,15H,3-4,8,11-12H2,1-2H3,(H,18,19)(H,20,21)