5-[[ethyl-(5-oxidanyl-5-oxidanylidene-pentyl)carbamothioyl]-methyl-amino]pentanoic acid

Systemtic Name: 5-[[ethyl-(5-oxidanyl-5-oxidanylidene-pentyl)carbamothioyl]-methyl-amino]pentanoic acid Openeye Name: 5-[[ethyl-(5-hydroxy-5-oxo-pentyl)carbamothioyl]-methyl-amino]pentanoic acid CAS Name: 5-[[[ethyl-(5-hydroxy-5-oxopentyl)amino]-sulfanylidenemethyl]-methylamino]pentanoic acid IUPAC Name: 5-[[ethyl-(5-hydroxy-5-oxopentyl)carbamothioyl]-methylamino]pentanoic acid Traditional Name: 5-[[ethyl-(5-hydroxy-5-keto-pentyl)thiocarbamoyl]-methyl-amino]valeric acid Formula: C14H26N2O4S MolecularWeight: 318.43224

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCC(=O)O)C(=S)N(C)CCCCC(=O)O

Isomeric SMILES

CCN(CCCCC(=O)O)C(=S)N(C)CCCCC(=O)O

InChI

InChI=1S/C14H26N2O4S/c1-3-16(11-7-5-9-13(19)20)14(21)15(2)10-6-4-8-12(17)18/h3-11H2,1-2H3,(H,17,18)(H,19,20)