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

Systemtic Name: 4-[3-[(3,3-dimethyl-4-oxidanyl-butyl)carbamothioylamino]propylcarbamothioylamino]-2,2-dimethyl-butanoic acid Openeye Name: 4-[3-[(4-hydroxy-3,3-dimethyl-butyl)carbamothioylamino]propylcarbamothioylamino]-2,2-dimethyl-butanoic acid CAS Name: 4-[[[3-[[[(4-hydroxy-3,3-dimethylbutyl)amino]-sulfanylidenemethyl]amino]propylamino]-sulfanylidenemethyl]amino]-2,2-dimethylbutanoic acid IUPAC Name: 4-[3-[(4-hydroxy-3,3-dimethylbutyl)carbamothioylamino]propylcarbamothioylamino]-2,2-dimethylbutanoic acid Traditional Name: 4-[3-[(4-hydroxy-3,3-dimethyl-butyl)thiocarbamoylamino]propylthiocarbamoylamino]-2,2-dimethyl-butyric acid Formula: C17H34N4O3S2 MolecularWeight: 406.60686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H34N4O3S2/c1-16(2,12-22)6-10-20-14(25)18-8-5-9-19-15(26)21-11-7-17(3,4)13(23)24/h22H,5-12H2,1-4H3,(H,23,24)(H2,18,20,25)(H2,19,21,26)