2-[(2-cyclohexylethylcarbamoylamino)methyl]-5-ethanoylsulfanyl-pentanoic acid

Systemtic Name: 2-[(2-cyclohexylethylcarbamoylamino)methyl]-5-ethanoylsulfanyl-pentanoic acid Openeye Name: 5-acetylsulfanyl-2-[(2-cyclohexylethylcarbamoylamino)methyl]pentanoic acid CAS Name: 5-(acetylthio)-2-[[[(2-cyclohexylethylamino)-oxomethyl]amino]methyl]pentanoic acid IUPAC Name: 5-acetylsulfanyl-2-[(2-cyclohexylethylcarbamoylamino)methyl]pentanoic acid Traditional Name: 5-(acetylthio)-2-[(2-cyclohexylethylcarbamoylamino)methyl]valeric acid Formula: C17H30N2O4S MolecularWeight: 358.4961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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