3-methylsulfanyl-5-oxidanyl-3-(phenethylcarbamoylamino)pentanoate

Systemtic Name: 3-methylsulfanyl-5-oxidanyl-3-(phenethylcarbamoylamino)pentanoate Openeye Name: 5-hydroxy-3-methylsulfanyl-3-(phenethylcarbamoylamino)pentanoate CAS Name: 5-hydroxy-3-(methylthio)-3-[[oxo-(phenethylamino)methyl]amino]pentanoate IUPAC Name: 5-hydroxy-3-methylsulfanyl-3-(phenethylcarbamoylamino)pentanoate Traditional Name: 5-hydroxy-3-(methylthio)-3-(phenethylcarbamoylamino)valerate Formula: C15H21N2O4S- MolecularWeight: 325.40324

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CCO)(CC(=O)[O-])NC(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CSC(CCO)(CC(=O)[O-])NC(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C15H22N2O4S/c1-22-15(8-10-18,11-13(19)20)17-14(21)16-9-7-12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3,(H,19,20)(H2,16,17,21)/p-1