2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)butanoyl]amino]propanoic acid

Systemtic Name: 2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)butanoyl]amino]propanoic acid Openeye Name: 2-[[2-(benzoylsulfanylmethyl)-3-phenyl-butanoyl]amino]propanoic acid CAS Name: 2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylbutyl]amino]propanoic acid IUPAC Name: 2-[[2-(benzoylsulfanylmethyl)-3-phenylbutanoyl]amino]propanoic acid Traditional Name: 2-[[2-[(benzoylthio)methyl]-3-phenyl-butanoyl]amino]propionic acid Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CSC(=O)C2=CC=CC=C2)C(=O)NC(C)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(CSC(=O)C2=CC=CC=C2)C(=O)NC(C)C(=O)O

InChI

InChI=1S/C21H23NO4S/c1-14(16-9-5-3-6-10-16)18(19(23)22-15(2)20(24)25)13-27-21(26)17-11-7-4-8-12-17/h3-12,14-15,18H,13H2,1-2H3,(H,22,23)(H,24,25)