4-[3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]phenyl]butanoic acid

Systemtic Name: 4-[3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]phenyl]butanoic acid Openeye Name: 4-[3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]phenyl]butanoic acid CAS Name: 4-[3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]phenyl]butanoic acid Traditional Name: 4-[3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]phenyl]butyric acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)CCCC(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)CCCC(=O)O

InChI

InChI=1S/C22H25NO4S/c1-16(24)28-15-19(13-17-7-3-2-4-8-17)22(27)23-20-11-5-9-18(14-20)10-6-12-21(25)26/h2-5,7-9,11,14,19H,6,10,12-13,15H2,1H3,(H,23,27)(H,25,26)