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

Systemtic Name: 4-methylsulfanyl-2-[[2-naphthalen-2-yl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(2-naphthyl)-4-(3-pyridyloxymethyl)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[[2-(2-naphthalenyl)-4-(3-pyridinyloxymethyl)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-naphthalen-2-yl-4-(pyridin-3-yloxymethyl)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-(2-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=CC4=CC=CC=C4C=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)COC2=CN=CC=C2)C3=CC4=CC=CC=C4C=C3

InChI

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