[2-methyl-4-[3-[(3-methyl-3-phosphonooxy-butyl)carbamothioylamino]propylcarbamothioylamino]butan-2-yl] dihydrogen phosphate

Systemtic Name: [2-methyl-4-[3-[(3-methyl-3-phosphonooxy-butyl)carbamothioylamino]propylcarbamothioylamino]butan-2-yl] dihydrogen phosphate Openeye Name: [1,1-dimethyl-3-[3-[(3-methyl-3-phosphonooxy-butyl)carbamothioylamino]propylcarbamothioylamino]propyl] dihydrogen phosphate CAS Name: [2-methyl-4-[[[3-[[[(3-methyl-3-phosphonooxybutyl)amino]-sulfanylidenemethyl]amino]propylamino]-sulfanylidenemethyl]amino]butan-2-yl] dihydrogen phosphate IUPAC Name: [2-methyl-4-[3-[(3-methyl-3-phosphonooxybutyl)carbamothioylamino]propylcarbamothioylamino]butan-2-yl] dihydrogen phosphate Traditional Name: [1,1-dimethyl-3-[3-[(3-methyl-3-phosphonooxy-butyl)thiocarbamoylamino]propylthiocarbamoylamino]propyl] dihydrogen phosphate Formula: C15H34N4O8P2S2 MolecularWeight: 524.529982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H34N4O8P2S2/c1-14(2,26-28(20,21)22)6-10-18-12(30)16-8-5-9-17-13(31)19-11-7-15(3,4)27-29(23,24)25/h5-11H2,1-4H3,(H2,16,18,30)(H2,17,19,31)(H2,20,21,22)(H2,23,24,25)