2-ethanoylsulfanylethyl 3-(3-phenylpropylcarbamoylamino)propanoate

Systemtic Name: 2-ethanoylsulfanylethyl 3-(3-phenylpropylcarbamoylamino)propanoate Openeye Name: 2-acetylsulfanylethyl 3-(3-phenylpropylcarbamoylamino)propanoate CAS Name: 3-[[oxo-(3-phenylpropylamino)methyl]amino]propanoic acid 2-(acetylthio)ethyl ester IUPAC Name: 2-acetylsulfanylethyl 3-(3-phenylpropylcarbamoylamino)propanoate Traditional Name: 3-(3-phenylpropylcarbamoylamino)propionic acid 2-(acetylthio)ethyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCOC(=O)CCNC(=O)NCCCC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCCOC(=O)CCNC(=O)NCCCC1=CC=CC=C1

InChI

InChI=1S/C17H24N2O4S/c1-14(20)24-13-12-23-16(21)9-11-19-17(22)18-10-5-8-15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3,(H2,18,19,22)