7-[(5,5-dimethyl-7-oxidanyl-7-oxidanylidene-heptyl)carbamothioylamino]-3,3-dimethyl-heptanoic acid

Systemtic Name: 7-[(5,5-dimethyl-7-oxidanyl-7-oxidanylidene-heptyl)carbamothioylamino]-3,3-dimethyl-heptanoic acid Openeye Name: 7-[(7-hydroxy-5,5-dimethyl-7-oxo-heptyl)carbamothioylamino]-3,3-dimethyl-heptanoic acid CAS Name: 7-[[[(7-hydroxy-5,5-dimethyl-7-oxoheptyl)amino]-sulfanylidenemethyl]amino]-3,3-dimethylheptanoic acid IUPAC Name: 7-[(7-hydroxy-5,5-dimethyl-7-oxoheptyl)carbamothioylamino]-3,3-dimethylheptanoic acid Traditional Name: 7-[(7-hydroxy-7-keto-5,5-dimethyl-heptyl)thiocarbamoylamino]-3,3-dimethyl-enanthic acid Formula: C19H36N2O4S MolecularWeight: 388.56514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCNC(=S)NCCCCC(C)(C)CC(=O)O)CC(=O)O

Isomeric SMILES

CC(C)(CCCCNC(=S)NCCCCC(C)(C)CC(=O)O)CC(=O)O

InChI

InChI=1S/C19H36N2O4S/c1-18(2,13-15(22)23)9-5-7-11-20-17(26)21-12-8-6-10-19(3,4)14-16(24)25/h5-14H2,1-4H3,(H,22,23)(H,24,25)(H2,20,21,26)