4-[3-[(3,3-dimethyl-4-oxidanyl-4-oxidanylidene-butyl)carbamothioylamino]propylcarbamothioylamino]-2,2-dimethyl-butanoic acid

Systemtic Name: 4-[3-[(3,3-dimethyl-4-oxidanyl-4-oxidanylidene-butyl)carbamothioylamino]propylcarbamothioylamino]-2,2-dimethyl-butanoic acid Openeye Name: 4-[3-[(4-hydroxy-3,3-dimethyl-4-oxo-butyl)carbamothioylamino]propylcarbamothioylamino]-2,2-dimethyl-butanoic acid CAS Name: 4-[[[3-[[[(4-hydroxy-3,3-dimethyl-4-oxobutyl)amino]-sulfanylidenemethyl]amino]propylamino]-sulfanylidenemethyl]amino]-2,2-dimethylbutanoic acid IUPAC Name: 4-[3-[(4-hydroxy-3,3-dimethyl-4-oxobutyl)carbamothioylamino]propylcarbamothioylamino]-2,2-dimethylbutanoic acid Traditional Name: 4-[3-[(4-hydroxy-4-keto-3,3-dimethyl-butyl)thiocarbamoylamino]propylthiocarbamoylamino]-2,2-dimethyl-butyric acid Formula: C17H32N4O4S2 MolecularWeight: 420.59038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCNC(=S)NCCCNC(=S)NCCC(C)(C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(CCNC(=S)NCCCNC(=S)NCCC(C)(C)C(=O)O)C(=O)O

InChI

InChI=1S/C17H32N4O4S2/c1-16(2,12(22)23)6-10-20-14(26)18-8-5-9-19-15(27)21-11-7-17(3,4)13(24)25/h5-11H2,1-4H3,(H,22,23)(H,24,25)(H2,18,20,26)(H2,19,21,27)