4-methylsulfanyl-2-[[2-naphthalen-1-yl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-naphthalen-1-yl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(1-naphthyl)-4-(3-pyridyloxymethyl)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[[2-(1-naphthalenyl)-4-(3-pyridinyloxymethyl)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-naphthalen-1-yl-4-(pyridin-3-yloxymethyl)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-(1-naphthyl)-4-(3-pyridyloxymethyl)benzoyl]amino]butyric acid Formula: C28H26N2O4S MolecularWeight: 486.58204

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)COC2=CN=CC=C2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)COC2=CN=CC=C2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H26N2O4S/c1-35-15-13-26(28(32)33)30-27(31)24-12-11-19(18-34-21-8-5-14-29-17-21)16-25(24)23-10-4-7-20-6-2-3-9-22(20)23/h2-12,14,16-17,26H,13,15,18H2,1H3,(H,30,31)(H,32,33)