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

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-[2-(1,3-thiazol-2-yl)ethanoylamino]phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-[(2-thiazol-2-ylacetyl)amino]benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[[1-oxo-2-(2-thiazolyl)ethyl]amino]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-[[2-(1,3-thiazol-2-yl)acetyl]amino]benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-[(2-thiazol-2-ylacetyl)amino]benzoyl]amino]butyric acid Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)CC2=NC=CS2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)CC2=NC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O4S2/c1-31-11-9-19(23(29)30)26-22(28)17-8-7-16(13-18(17)15-5-3-2-4-6-15)25-20(27)14-21-24-10-12-32-21/h2-8,10,12-13,19H,9,11,14H2,1H3,(H,25,27)(H,26,28)(H,29,30)