7-[(4,4-dimethyl-7-oxidanyl-7-oxidanylidene-heptyl)carbamothioylamino]-4,4-dimethyl-heptanoic acid

Systemtic Name: 7-[(4,4-dimethyl-7-oxidanyl-7-oxidanylidene-heptyl)carbamothioylamino]-4,4-dimethyl-heptanoic acid Openeye Name: 7-[(7-hydroxy-4,4-dimethyl-7-oxo-heptyl)carbamothioylamino]-4,4-dimethyl-heptanoic acid CAS Name: 7-[[[(7-hydroxy-4,4-dimethyl-7-oxoheptyl)amino]-sulfanylidenemethyl]amino]-4,4-dimethylheptanoic acid IUPAC Name: 7-[(7-hydroxy-4,4-dimethyl-7-oxoheptyl)carbamothioylamino]-4,4-dimethylheptanoic acid Traditional Name: 7-[(7-hydroxy-7-keto-4,4-dimethyl-heptyl)thiocarbamoylamino]-4,4-dimethyl-enanthic acid Formula: C19H36N2O4S MolecularWeight: 388.56514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCNC(=S)NCCCC(C)(C)CCC(=O)O)CCC(=O)O

Isomeric SMILES

CC(C)(CCCNC(=S)NCCCC(C)(C)CCC(=O)O)CCC(=O)O

InChI

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