[2-methyl-6-[(5-methyl-5-phosphonooxy-hexyl)carbamothioylamino]hexan-2-yl] dihydrogen phosphate

Systemtic Name: [2-methyl-6-[(5-methyl-5-phosphonooxy-hexyl)carbamothioylamino]hexan-2-yl] dihydrogen phosphate Openeye Name: [1,1-dimethyl-5-[(5-methyl-5-phosphonooxy-hexyl)carbamothioylamino]pentyl] dihydrogen phosphate CAS Name: [2-methyl-6-[[[(5-methyl-5-phosphonooxyhexyl)amino]-sulfanylidenemethyl]amino]hexan-2-yl] dihydrogen phosphate IUPAC Name: [2-methyl-6-[(5-methyl-5-phosphonooxyhexyl)carbamothioylamino]hexan-2-yl] dihydrogen phosphate Traditional Name: [1,1-dimethyl-5-[(5-methyl-5-phosphonooxy-hexyl)thiocarbamoylamino]pentyl] dihydrogen phosphate Formula: C15H34N2O8P2S MolecularWeight: 464.451582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H34N2O8P2S/c1-14(2,24-26(18,19)20)9-5-7-11-16-13(28)17-12-8-6-10-15(3,4)25-27(21,22)23/h5-12H2,1-4H3,(H2,16,17,28)(H2,18,19,20)(H2,21,22,23)