8-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]octanoic acid

Systemtic Name: 8-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]octanoic acid Openeye Name: 8-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]octanoic acid CAS Name: 8-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]octanoic acid IUPAC Name: 8-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]octanoic acid Traditional Name: 8-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]caprylic acid Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCCCCCCCC(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C20H29NO4S/c1-16(22)26-15-18(14-17-10-6-5-7-11-17)20(25)21-13-9-4-2-3-8-12-19(23)24/h5-7,10-11,18H,2-4,8-9,12-15H2,1H3,(H,21,25)(H,23,24)