2-methylpropyl 4-methylsulfanyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: 2-methylpropyl 4-methylsulfanyl-2-(2-phenylethanoylamino)butanoate Openeye Name: isobutyl 4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenylethyl)amino]butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(2-phenylacetyl)amino]butyric acid isobutyl ester Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(CCSC)NC(=O)CC1=CC=CC=C1

Isomeric SMILES

CC(C)COC(=O)C(CCSC)NC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C17H25NO3S/c1-13(2)12-21-17(20)15(9-10-22-3)18-16(19)11-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,18,19)