2-[(1-oxidanyl-1-oxidanylidene-hexan-2-yl)carbamothioylamino]hexanoic acid

Systemtic Name: 2-[(1-oxidanyl-1-oxidanylidene-hexan-2-yl)carbamothioylamino]hexanoic acid Openeye Name: 2-(1-carboxypentylcarbamothioylamino)hexanoic acid CAS Name: 2-[[[(1-hydroxy-1-oxohexan-2-yl)amino]-sulfanylidenemethyl]amino]hexanoic acid IUPAC Name: 2-[(1-hydroxy-1-oxohexan-2-yl)carbamothioylamino]hexanoic acid Traditional Name: 2-(1-carboxypentylthiocarbamoylamino)hexanoic acid Formula: C13H24N2O4S MolecularWeight: 304.40566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=S)NC(CCCC)C(=O)O

Isomeric SMILES

CCCCC(C(=O)O)NC(=S)NC(CCCC)C(=O)O

InChI

InChI=1S/C13H24N2O4S/c1-3-5-7-9(11(16)17)14-13(20)15-10(12(18)19)8-6-4-2/h9-10H,3-8H2,1-2H3,(H,16,17)(H,18,19)(H2,14,15,20)