2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-(1,3-thiazolidin-4-ylcarbonylamino)phenyl]carbonyl-butanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-(1,3-thiazolidin-4-ylcarbonylamino)phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(thiazolidine-4-carbonylamino)benzoyl]butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-[4-[[oxo(4-thiazolidinyl)methyl]amino]-2-phenylphenyl]methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(1,3-thiazolidine-4-carbonylamino)benzoyl]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-phenyl-4-(thiazolidine-4-carbonylamino)benzoyl]butyric acid Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C(C=C(C=C1)NC(=O)C2CSCN2)C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)C1=C(C=C(C=C1)NC(=O)C2CSCN2)C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C22H25N3O4S2/c1-30-10-9-22(23,21(28)29)19(26)16-8-7-15(25-20(27)18-12-31-13-24-18)11-17(16)14-5-3-2-4-6-14/h2-8,11,18,24H,9-10,12-13,23H2,1H3,(H,25,27)(H,28,29)