[3,4-bis(oxidanyl)-5-[3-oxidanylidene-5-[3-[6-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]propylamino]-1,2,4-triazin-2-yl]oxolan-2-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate

Systemtic Name: [3,4-bis(oxidanyl)-5-[3-oxidanylidene-5-[3-[6-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]propylamino]-1,2,4-triazin-2-yl]oxolan-2-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate Openeye Name: [3,4-dihydroxy-5-[3-oxo-5-[3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]propylamino]-1,2,4-triazin-2-yl]tetrahydrofuran-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate CAS Name: [3,4-dihydroxy-5-[3-oxo-5-[3-[[1-oxo-6-[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]hexyl]amino]propylamino]-1,2,4-triazin-2-yl]-2-oxolanyl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate IUPAC Name: [3,4-dihydroxy-5-[3-oxo-5-[3-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]propylamino]-1,2,4-triazin-2-yl]oxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate Traditional Name: [3,4-dihydroxy-5-[3-keto-5-[3-[6-[5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]propylamino]-1,2,4-triazin-2-yl]tetrahydrofuran-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate Formula: C26H45N8O17P3S MolecularWeight: 866.665183

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)NCCCNC3=NC(=O)N(N=C3)C4C(C(C(O4)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)N2

Isomeric SMILES

C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)NCCCNC3=NC(=O)N(N=C3)C4C(C(C(O4)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)N2

InChI

InChI=1S/C26H45N8O17P3S/c35-18(8-2-1-5-10-28-19(36)9-4-3-7-16-20-15(14-55-16)31-25(39)33-20)29-12-6-11-27-17-13-30-34(26(40)32-17)23-21(37)22(38)24(48-23)49-53(44,45)51-54(46,47)50-52(41,42)43/h13,15-16,20-24,37-38H,1-12,14H2,(H,28,36)(H,29,35)(H,44,45)(H,46,47)(H,27,32,40)(H2,31,33,39)(H2,41,42,43)