2-cyanoethoxy-N-[di(propan-2-yl)amino]-N-[[6-octoxy-5-oxidanyl-5-(phenylcarbonyl)-3,4-bis(phenylcarbonyloxy)oxan-2-yl]methoxy]phosphonamidous acid

Systemtic Name: 2-cyanoethoxy-N-[di(propan-2-yl)amino]-N-[[6-octoxy-5-oxidanyl-5-(phenylcarbonyl)-3,4-bis(phenylcarbonyloxy)oxan-2-yl]methoxy]phosphonamidous acid Openeye Name: N-[(5-benzoyl-3,4-dibenzoyloxy-5-hydroxy-6-octoxy-tetrahydropyran-2-yl)methoxy]-(2-cyanoethoxy)-N-(diisopropylamino)phosphonamidous acid CAS Name: N-[(5-benzoyl-3,4-dibenzoyloxy-5-hydroxy-6-octoxy-2-oxanyl)methoxy]-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid IUPAC Name: N-[(5-benzoyl-3,4-dibenzoyloxy-5-hydroxy-6-octoxyoxan-2-yl)methoxy]-(2-cyanoethoxy)-N-[di(propan-2-yl)amino]phosphonamidous acid Traditional Name: N-[(5-benzoyl-3,4-dibenzoyloxy-5-hydroxy-6-octoxy-tetrahydropyran-2-yl)methoxy]-(2-cyanoethoxy)-N-(diisopropylamino)phosphonamidous acid Formula: C44H58N3O11P MolecularWeight: 835.918581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)CON(N(C(C)C)C(C)C)P(O)OCCC#N)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)(C(=O)C4=CC=CC=C4)O

Isomeric SMILES

CCCCCCCCOC1C(C(C(C(O1)CON(N(C(C)C)C(C)C)P(O)OCCC#N)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)(C(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C44H58N3O11P/c1-6-7-8-9-10-20-29-53-43-44(51,39(48)34-22-14-11-15-23-34)40(58-42(50)36-26-18-13-19-27-36)38(57-41(49)35-24-16-12-17-25-35)37(56-43)31-54-47(46(32(2)3)33(4)5)59(52)55-30-21-28-45/h11-19,22-27,32-33,37-38,40,43,51-52H,6-10,20-21,29-31H2,1-5H3