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methyl 4-methylsulfanyl-2-(phenethylcarbamoylamino)butanoate

methyl 4-methylsulfanyl-2-(phenethylcarbamoylamino)butanoate

Systemtic Name:methyl 4-methylsulfanyl-2-(phenethylcarbamoylamino)butanoate
Openeye Name:methyl 4-methylsulfanyl-2-(phenethylcarbamoylamino)butanoate
CAS Name:4-(methylthio)-2-[[oxo-(phenethylamino)methyl]amino]butanoic acid methyl ester
IUPAC Name:methyl 4-methylsulfanyl-2-(phenethylcarbamoylamino)butanoate
Traditional Name:4-(methylthio)-2-(phenethylcarbamoylamino)butyric acid methyl ester
Formula: C15H22N2O3S
MolecularWeight: 310.41178
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NCCC1=CC=CC=C1


Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NCCC1=CC=CC=C1


InChI

InChI=1S/C15H22N2O3S/c1-20-14(18)13(9-11-21-2)17-15(19)16-10-8-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H2,16,17,19)


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