11-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]undecanoic acid

Systemtic Name: 11-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]undecanoic acid Openeye Name: 11-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]undecanoic acid CAS Name: 11-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]undecanoic acid IUPAC Name: 11-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]undecanoic acid Traditional Name: 11-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]undecanoic acid Formula: C23H35NO4S MolecularWeight: 421.5933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35NO4S/c1-19(25)29-18-21(17-20-13-9-8-10-14-20)23(28)24-16-12-7-5-3-2-4-6-11-15-22(26)27/h8-10,13-14,21H,2-7,11-12,15-18H2,1H3,(H,24,28)(H,26,27)