4-ethanoylsulfanyl-2-[(phenethylcarbamoylamino)methyl]butanoic acid

Systemtic Name: 4-ethanoylsulfanyl-2-[(phenethylcarbamoylamino)methyl]butanoic acid Openeye Name: 4-acetylsulfanyl-2-[(phenethylcarbamoylamino)methyl]butanoic acid CAS Name: 4-(acetylthio)-2-[[[oxo-(phenethylamino)methyl]amino]methyl]butanoic acid IUPAC Name: 4-acetylsulfanyl-2-[(phenethylcarbamoylamino)methyl]butanoic acid Traditional Name: 4-(acetylthio)-2-[(phenethylcarbamoylamino)methyl]butyric acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CNC(=O)NCCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)SCCC(CNC(=O)NCCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C16H22N2O4S/c1-12(19)23-10-8-14(15(20)21)11-18-16(22)17-9-7-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,20,21)(H2,17,18,22)