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

Systemtic Name: [2-methyl-4-[2-[(3-methyl-3-phosphonooxy-butyl)carbamothioylamino]ethylcarbamothioylamino]butan-2-yl] dihydrogen phosphate Openeye Name: [1,1-dimethyl-3-[2-[(3-methyl-3-phosphonooxy-butyl)carbamothioylamino]ethylcarbamothioylamino]propyl] dihydrogen phosphate CAS Name: [2-methyl-4-[[[2-[[[(3-methyl-3-phosphonooxybutyl)amino]-sulfanylidenemethyl]amino]ethylamino]-sulfanylidenemethyl]amino]butan-2-yl] dihydrogen phosphate IUPAC Name: [2-methyl-4-[2-[(3-methyl-3-phosphonooxybutyl)carbamothioylamino]ethylcarbamothioylamino]butan-2-yl] dihydrogen phosphate Traditional Name: [1,1-dimethyl-3-[2-[(3-methyl-3-phosphonooxy-butyl)thiocarbamoylamino]ethylthiocarbamoylamino]propyl] dihydrogen phosphate Formula: C14H32N4O8P2S2 MolecularWeight: 510.503402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H32N4O8P2S2/c1-13(2,25-27(19,20)21)5-7-15-11(29)17-9-10-18-12(30)16-8-6-14(3,4)26-28(22,23)24/h5-10H2,1-4H3,(H2,15,17,29)(H2,16,18,30)(H2,19,20,21)(H2,22,23,24)