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

Systemtic Name: 2-[(2-cyclohexylethylcarbamoylamino)methyl]-4-ethanoylsulfanyl-butanoic acid Openeye Name: 4-acetylsulfanyl-2-[(2-cyclohexylethylcarbamoylamino)methyl]butanoic acid CAS Name: 4-(acetylthio)-2-[[[(2-cyclohexylethylamino)-oxomethyl]amino]methyl]butanoic acid IUPAC Name: 4-acetylsulfanyl-2-[(2-cyclohexylethylcarbamoylamino)methyl]butanoic acid Traditional Name: 4-(acetylthio)-2-[(2-cyclohexylethylcarbamoylamino)methyl]butyric acid Formula: C16H28N2O4S MolecularWeight: 344.46952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CNC(=O)NCCC1CCCCC1)C(=O)O

Isomeric SMILES

CC(=O)SCCC(CNC(=O)NCCC1CCCCC1)C(=O)O

InChI

InChI=1S/C16H28N2O4S/c1-12(19)23-10-8-14(15(20)21)11-18-16(22)17-9-7-13-5-3-2-4-6-13/h13-14H,2-11H2,1H3,(H,20,21)(H2,17,18,22)