2-[(3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-4-phenyl-butanoyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-4-phenyl-butanoyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-4-oxo-4-phenyl-butanoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1,4-dioxo-4-phenylbutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-2-methyl-4-phenyl-butanoyl]amino]-3-phenyl-propionic acid Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC=CC=C1)SC(=O)C)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C(C(=O)C1=CC=CC=C1)SC(=O)C)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H23NO5S/c1-14(20(29-15(2)24)19(25)17-11-7-4-8-12-17)21(26)23-18(22(27)28)13-16-9-5-3-6-10-16/h3-12,14,18,20H,13H2,1-2H3,(H,23,26)(H,27,28)