N-[1-[(2R,4S,5R)-4-[[(3aR)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]benzamide

Systemtic Name: N-[1-[(2R,4S,5R)-4-[[(3aR)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]benzamide Openeye Name: N-[1-[(2R,4S,5R)-4-[[(3aR)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide CAS Name: N-[1-[(2R,4S,5R)-4-[[(3aR)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-oxolanyl]-2-oxo-4-pyrimidinyl]benzamide IUPAC Name: N-[1-[(2R,4S,5R)-4-[[(3aR)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide Traditional Name: N-[1-[(2R,4S,5R)-4-[[(3aR)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-2-yl]-2-keto-pyrimidin-4-yl]benzamide Formula: C42H43N4O8P MolecularWeight: 762.786581

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)OP7N8CCCC8CO7

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)OP7N8CCC[C@@H]8CO7

InChI

InChI=1S/C42H43N4O8P/c1-49-34-19-15-31(16-20-34)42(30-12-7-4-8-13-30,32-17-21-35(50-2)22-18-32)51-28-37-36(54-55-46-24-9-14-33(46)27-52-55)26-39(53-37)45-25-23-38(44-41(45)48)43-40(47)29-10-5-3-6-11-29/h3-8,10-13,15-23,25,33,36-37,39H,9,14,24,26-28H2,1-2H3,(H,43,44,47,48)/t33-,36+,37-,39-,55?/m1/s1