[2-[[2-[2-[2-$l^{1}-boranylethanoyl-[2-oxidanylidene-2-(2-phosphonooxyethylamino)ethyl]amino]ethylamino]-2-oxidanylidene-ethyl]-[2-[oxidanyl-[7-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]heptoxy]phosphoryl]oxyethyl]amino]-2-oxidanylidene-ethyl]boron

Systemtic Name: [2-[[2-[2-[2-$l^{1}-boranylethanoyl-[2-oxidanylidene-2-(2-phosphonooxyethylamino)ethyl]amino]ethylamino]-2-oxidanylidene-ethyl]-[2-[oxidanyl-[7-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]heptoxy]phosphoryl]oxyethyl]amino]-2-oxidanylidene-ethyl]boron Openeye Name: [2-[2-[[2-[2-[hydroxy-[7-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]heptoxy]phosphoryl]oxyethyl-(2-$l^{1}-boranylacetyl)amino]acetyl]amino]ethyl-[2-oxo-2-(2-phosphonooxyethylamino)ethyl]amino]-2-oxo-ethyl]boron CAS Name: [2-[2-[[2-[2-[hydroxy-[7-[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]heptoxy]phosphoryl]oxyethyl-(2-$l^{1}-boranyl-1-oxoethyl)amino]-1-oxoethyl]amino]ethyl-[2-oxo-2-(2-phosphonooxyethylamino)ethyl]amino]-2-oxoethyl]boron IUPAC Name: [2-[2-[[2-[2-[hydroxy-[7-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]heptoxy]phosphoryl]oxyethyl-(2-$l^{1}-boranylacetyl)amino]acetyl]amino]ethyl-[2-oxo-2-(2-phosphonooxyethylamino)ethyl]amino]-2-oxoethyl]boron Traditional Name: [2-[2-[hydroxy-[7-[5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)pentanoylamino]heptoxy]phosphoryl]oxyethyl-[2-keto-2-[2-[[2-keto-2-(2-phosphonooxyethylamino)ethyl]-(2-$l^{1}-boranylacetyl)amino]ethylamino]ethyl]amino]-2-keto-ethyl]boron Formula: C31H55B2N7O14P2S MolecularWeight: 865.441422

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Descriptors Computed from Structure

Canonical SMILES:

[B]CC(=O)N(CCNC(=O)CN(CCOP(=O)(O)OCCCCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)C(=O)C[B])CC(=O)NCCOP(=O)(O)O

Isomeric SMILES

[B]CC(=O)N(CCNC(=O)CN(CCOP(=O)(O)OCCCCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)C(=O)C[B])CC(=O)NCCOP(=O)(O)O

InChI

InChI=1S/C31H55B2N7O14P2S/c32-18-28(44)39(20-27(43)36-12-16-52-55(47,48)49)13-11-35-26(42)21-40(29(45)19-33)14-17-54-56(50,51)53-15-7-3-1-2-6-10-34-25(41)9-5-4-8-24-30-23(22-57-24)37-31(46)38-30/h23-24,30H,1-22H2,(H,34,41)(H,35,42)(H,36,43)(H,50,51)(H2,37,38,46)(H2,47,48,49)