6-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]hexanoic acid

Systemtic Name: 6-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]hexanoic acid Openeye Name: 6-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]hexanoic acid CAS Name: 6-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]hexanoic acid IUPAC Name: 6-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]hexanoic acid Traditional Name: 6-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]hexanoic acid Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4S/c1-14(20)24-13-16(12-15-8-4-2-5-9-15)18(23)19-11-7-3-6-10-17(21)22/h2,4-5,8-9,16H,3,6-7,10-13H2,1H3,(H,19,23)(H,21,22)