2-[6-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-5-[2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-5-[3-[4-(2-oxidanidyl-2-oxidanylidene-ethyl)piperazin-1-yl]-3-oxidanylidene-propyl]phenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylate

Systemtic Name: 2-[6-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-5-[2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-5-[3-[4-(2-oxidanidyl-2-oxidanylidene-ethyl)piperazin-1-yl]-3-oxidanylidene-propyl]phenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylate Openeye Name: 2-[6-[bis(2-oxido-2-oxo-ethyl)amino]-5-[2-[2-[bis(2-oxido-2-oxo-ethyl)amino]-5-[3-[4-(2-oxido-2-oxo-ethyl)piperazin-1-yl]-3-oxo-propyl]phenoxy]ethoxy]benzofuran-2-yl]oxazole-5-carboxylate CAS Name: 2-[6-[bis(2-oxido-2-oxoethyl)amino]-5-[2-[2-[bis(2-oxido-2-oxoethyl)amino]-5-[3-[4-(2-oxido-2-oxoethyl)-1-piperazinyl]-3-oxopropyl]phenoxy]ethoxy]-2-benzofuranyl]-5-oxazolecarboxylate IUPAC Name: 2-[6-[bis(2-oxido-2-oxoethyl)amino]-5-[2-[2-[bis(2-oxido-2-oxoethyl)amino]-5-[3-[4-(2-oxido-2-oxoethyl)piperazin-1-yl]-3-oxopropyl]phenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylate Traditional Name: 2-[6-[bis(2-keto-2-oxido-ethyl)amino]-5-[2-[2-[bis(2-keto-2-oxido-ethyl)amino]-5-[3-keto-3-[4-(2-keto-2-oxido-ethyl)piperazino]propyl]phenoxy]ethoxy]benzofuran-2-yl]oxazole-5-carboxylate Formula: C37H33N5O17-6 MolecularWeight: 819.68122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)[O-])C(=O)CCC2=CC(=C(C=C2)N(CC(=O)[O-])CC(=O)[O-])OCCOC3=C(C=C4C(=C3)C=C(O4)C5=NC=C(O5)C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)[O-])C(=O)CCC2=CC(=C(C=C2)N(CC(=O)[O-])CC(=O)[O-])OCCOC3=C(C=C4C(=C3)C=C(O4)C5=NC=C(O5)C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C37H39N5O17/c43-30(40-7-5-39(6-8-40)16-31(44)45)4-2-21-1-3-23(41(17-32(46)47)18-33(48)49)26(11-21)56-9-10-57-27-12-22-13-28(36-38-15-29(59-36)37(54)55)58-25(22)14-24(27)42(19-34(50)51)20-35(52)53/h1,3,11-15H,2,4-10,16-20H2,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)/p-6