7-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]heptanoic acid

Systemtic Name: 7-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]heptanoic acid Openeye Name: 7-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]heptanoic acid CAS Name: 7-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]heptanoic acid IUPAC Name: 7-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]heptanoic acid Traditional Name: 7-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]enanthic acid Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4S/c1-15(21)25-14-17(13-16-9-5-4-6-10-16)19(24)20-12-8-3-2-7-11-18(22)23/h4-6,9-10,17H,2-3,7-8,11-14H2,1H3,(H,20,24)(H,22,23)