4-methylsulfanyl-2-[[2-phenyl-3-(1,3-thiazol-2-ylsulfinamoylsulfanylmethyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-3-(1,3-thiazol-2-ylsulfinamoylsulfanylmethyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-3-(thiazol-2-ylsulfinamoylsulfanylmethyl)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-3-[(2-thiazolylsulfinamoylthio)methyl]phenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-3-(1,3-thiazol-2-ylsulfinamoylsulfanylmethyl)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-3-[(thiazol-2-ylsulfinamoylthio)methyl]benzoyl]amino]butyric acid Formula: C22H23N3O4S4 MolecularWeight: 521.69572

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C(=CC=C1)CSS(=O)NC2=NC=CS2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C(=CC=C1)CSS(=O)NC2=NC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S4/c1-30-12-10-18(21(27)28)24-20(26)17-9-5-8-16(19(17)15-6-3-2-4-7-15)14-32-33(29)25-22-23-11-13-31-22/h2-9,11,13,18H,10,12,14H2,1H3,(H,23,25)(H,24,26)(H,27,28)