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

Systemtic Name: 4-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]butanoic acid Openeye Name: 4-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]butanoic acid CAS Name: 4-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]butanoic acid IUPAC Name: 4-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]butanoic acid Traditional Name: 4-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]butyric acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4S/c1-12(18)22-11-14(10-13-6-3-2-4-7-13)16(21)17-9-5-8-15(19)20/h2-4,6-7,14H,5,8-11H2,1H3,(H,17,21)(H,19,20)