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

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

Systemtic Name:4-ethanoylsulfanyl-2-[(2-phenoxyethylcarbamoylamino)methyl]butanoic acid
Openeye Name:4-acetylsulfanyl-2-[(2-phenoxyethylcarbamoylamino)methyl]butanoic acid
CAS Name:4-(acetylthio)-2-[[[oxo-(2-phenoxyethylamino)methyl]amino]methyl]butanoic acid
IUPAC Name:4-acetylsulfanyl-2-[(2-phenoxyethylcarbamoylamino)methyl]butanoic acid
Traditional Name:4-(acetylthio)-2-[(2-phenoxyethylcarbamoylamino)methyl]butyric acid
Formula: C16H22N2O5S
MolecularWeight: 354.42128
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CNC(=O)NCCOC1=CC=CC=C1)C(=O)O


Isomeric SMILES

CC(=O)SCCC(CNC(=O)NCCOC1=CC=CC=C1)C(=O)O


InChI

InChI=1S/C16H22N2O5S/c1-12(19)24-10-7-13(15(20)21)11-18-16(22)17-8-9-23-14-5-3-2-4-6-14/h2-6,13H,7-11H2,1H3,(H,20,21)(H2,17,18,22)


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