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2-[(2R,3S,5R)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]-5-[4-(2-methylpropanoylamino)-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]ethyl-[(4-methoxy-1-oxidanidyl-pyridin-1-ium-2-yl)methoxy]phosphinate; triethylazanium
2-[(2R,3S,5R)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]-5-[4-(2-methylpropanoylamino)-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]ethyl-[(4-methoxy-1-oxidanidyl-pyridin-1-ium-2-yl)methoxy]phosphinate; triethylazanium
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Descriptors Computed from Structure
Canonical SMILES:
CC[NH+](CC)CC.CC(C)C(=O)NC1=NC(=O)N(C=C1)C2CC(C(O2)CCP(=O)([O-])OCC3=[N+](C=CC(=C3)OC)[O-])OC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
Isomeric SMILES
CC[NH+](CC)CC.CC(C)C(=O)NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CCP(=O)([O-])OCC3=[N+](C=CC(=C3)OC)[O-])OC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
InChI
InChI=1S/C42H47N4O11P.C6H15N/c1-28(2)40(47)43-38-20-22-45(41(48)44-38)39-26-37(36(56-39)21-24-58(50,51)55-27-32-25-35(54-5)19-23-46(32)49)57-42(29-9-7-6-8-10-29,30-11-15-33(52-3)16-12-30)31-13-17-34(53-4)18-14-31;1-4-7(5-2)6-3/h6-20,22-23,25,28,36-37,39H,21,24,26-27H2,1-5H3,(H,50,51)(H,43,44,47,48);4-6H2,1-3H3/t36-,37+,39-;/m1./s1
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- [4,6-bis[5-tert-butyl-3-methyl-2-(phosphonomethyl)phenyl]-5-oxidanyl-5-oxidanylidene-3-(phosphonomethoxy)benzo[b]phosphindol-7-yl]oxymethylphosphonic acid
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