methyl 4-methylsulfanyl-2-(3-phenylpropylcarbamoylamino)butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-(3-phenylpropylcarbamoylamino)butanoate Openeye Name: methyl 4-methylsulfanyl-2-(3-phenylpropylcarbamoylamino)butanoate CAS Name: 4-(methylthio)-2-[[oxo-(3-phenylpropylamino)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-(3-phenylpropylcarbamoylamino)butanoate Traditional Name: 4-(methylthio)-2-(3-phenylpropylcarbamoylamino)butyric acid methyl ester Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NCCCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NCCCC1=CC=CC=C1

InChI

InChI=1S/C16H24N2O3S/c1-21-15(19)14(10-12-22-2)18-16(20)17-11-6-9-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H2,17,18,20)