4-methylsulfanyl-2-[2-[4-(phenylcarbonyl)phenyl]ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-[4-(phenylcarbonyl)phenyl]ethanoylamino]butanoic acid Openeye Name: 2-[[2-(4-benzoylphenyl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(4-benzoylphenyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(4-benzoylphenyl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(4-benzoylphenyl)acetyl]amino]-4-(methylthio)butyric acid Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21NO4S/c1-26-12-11-17(20(24)25)21-18(22)13-14-7-9-16(10-8-14)19(23)15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,21,22)(H,24,25)