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

Systemtic Name: 2-[(2-cycloheptylethylcarbamoylamino)methyl]-4-ethanoylsulfanyl-butanoic acid Openeye Name: 4-acetylsulfanyl-2-[(2-cycloheptylethylcarbamoylamino)methyl]butanoic acid CAS Name: 4-(acetylthio)-2-[[[(2-cycloheptylethylamino)-oxomethyl]amino]methyl]butanoic acid IUPAC Name: 4-acetylsulfanyl-2-[(2-cycloheptylethylcarbamoylamino)methyl]butanoic acid Traditional Name: 4-(acetylthio)-2-[(2-cycloheptylethylcarbamoylamino)methyl]butyric acid Formula: C17H30N2O4S MolecularWeight: 358.4961

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CNC(=O)NCCC1CCCCCC1)C(=O)O

Isomeric SMILES

CC(=O)SCCC(CNC(=O)NCCC1CCCCCC1)C(=O)O

InChI

InChI=1S/C17H30N2O4S/c1-13(20)24-11-9-15(16(21)22)12-19-17(23)18-10-8-14-6-4-2-3-5-7-14/h14-15H,2-12H2,1H3,(H,21,22)(H2,18,19,23)