4-methylsulfanyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoic acid Openeye Name: 2-[(1-methyl-3-phenyl-propyl)carbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-(4-phenylbutan-2-ylamino)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoic acid Traditional Name: 2-[(1-methyl-3-phenyl-propyl)carbamoylamino]-4-(methylthio)butyric acid Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)NC(CCSC)C(=O)O

InChI

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