4-methylsulfanyl-2-[[2-phenyl-4-(phenylmethoxymethyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-(phenylmethoxymethyl)phenyl]carbonylamino]butanoic acid Openeye Name: 2-[[4-(benzyloxymethyl)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[2-phenyl-4-(phenylmethoxymethyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-(phenylmethoxymethyl)benzoyl]amino]butanoic acid Traditional Name: 2-[[4-(benzoxymethyl)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)COCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)COCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H27NO4S/c1-32-15-14-24(26(29)30)27-25(28)22-13-12-20(16-23(22)21-10-6-3-7-11-21)18-31-17-19-8-4-2-5-9-19/h2-13,16,24H,14-15,17-18H2,1H3,(H,27,28)(H,29,30)