[[5-[4-[4-[[3',6'-bis(oxidanyl)-1-oxidanylidene-spiro[2-benzofuran-3,9'-xanthene]-5-yl]carbonylamino]butylcarbamoyl]imidazol-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[5-[4-[4-[[3',6'-bis(oxidanyl)-1-oxidanylidene-spiro[2-benzofuran-3,9'-xanthene]-5-yl]carbonylamino]butylcarbamoyl]imidazol-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[5-[4-[4-[(3',6'-dihydroxy-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-carbonyl)amino]butylcarbamoyl]imidazol-1-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[5-[4-[[4-[[(3',6'-dihydroxy-1-oxo-5-spiro[isobenzofuran-3,9'-xanthene]yl)-oxomethyl]amino]butylamino]-oxomethyl]-1-imidazolyl]-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[5-[4-[4-[(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carbonyl)amino]butylcarbamoyl]imidazol-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[5-[4-[4-[(3',6'-dihydroxy-1-keto-spiro[phthalan-3,9'-xanthene]-5-carbonyl)amino]butylcarbamoyl]imidazol-1-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C34H35N4O18P3 MolecularWeight: 880.578983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(N=C2)C(=O)NCCCCNC(=O)C3=CC4=C(C=C3)C(=O)OC45C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O

Isomeric SMILES

C1CC(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(N=C2)C(=O)NCCCCNC(=O)C3=CC4=C(C=C3)C(=O)OC45C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O

InChI

InChI=1S/C34H35N4O18P3/c39-20-4-8-24-28(14-20)53-29-15-21(40)5-9-25(29)34(24)26-13-19(3-7-23(26)33(43)54-34)31(41)35-11-1-2-12-36-32(42)27-16-38(18-37-27)30-10-6-22(52-30)17-51-58(47,48)56-59(49,50)55-57(44,45)46/h3-5,7-9,13-16,18,22,30,39-40H,1-2,6,10-12,17H2,(H,35,41)(H,36,42)(H,47,48)(H,49,50)(H2,44,45,46)