[2-methyl-5-[(4-methyl-4-phosphonooxy-pentyl)carbamothioylamino]pentan-2-yl] dihydrogen phosphate

Systemtic Name: [2-methyl-5-[(4-methyl-4-phosphonooxy-pentyl)carbamothioylamino]pentan-2-yl] dihydrogen phosphate Openeye Name: [1,1-dimethyl-4-[(4-methyl-4-phosphonooxy-pentyl)carbamothioylamino]butyl] dihydrogen phosphate CAS Name: [2-methyl-5-[[[(4-methyl-4-phosphonooxypentyl)amino]-sulfanylidenemethyl]amino]pentan-2-yl] dihydrogen phosphate IUPAC Name: [2-methyl-5-[(4-methyl-4-phosphonooxypentyl)carbamothioylamino]pentan-2-yl] dihydrogen phosphate Traditional Name: [1,1-dimethyl-4-[(4-methyl-4-phosphonooxy-pentyl)thiocarbamoylamino]butyl] dihydrogen phosphate Formula: C13H30N2O8P2S MolecularWeight: 436.398422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H30N2O8P2S/c1-12(2,22-24(16,17)18)7-5-9-14-11(26)15-10-6-8-13(3,4)23-25(19,20)21/h5-10H2,1-4H3,(H2,14,15,26)(H2,16,17,18)(H2,19,20,21)