O4-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]butyl] O2-tert-butyl (1E,3R)-1-[(2-methylpropan-2-yl)oxycarbonylimino]-3-(9-methylsulfonyloxynonyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-2,4-dicarboxylate

Systemtic Name: O4-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]butyl] O2-tert-butyl (1E,3R)-1-[(2-methylpropan-2-yl)oxycarbonylimino]-3-(9-methylsulfonyloxynonyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-2,4-dicarboxylate Openeye Name: O4-[4-[bis(tert-butoxycarbonylamino)methyleneamino]butyl] O2-tert-butyl (1E,3R)-1-tert-butoxycarbonylimino-3-(9-methylsulfonyloxynonyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-2,4-dicarboxylate CAS Name: (1E,3R)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]imino-3-(9-methylsulfonyloxynonyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-2,4-dicarboxylic acid O4-[4-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]butyl] ester O2-tert-butyl ester IUPAC Name: 4-O-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]butyl] 2-O-tert-butyl (1E,3R)-1-[(2-methylpropan-2-yl)oxycarbonylimino]-3-(9-methylsulfonyloxynonyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-2,4-dicarboxylate Traditional Name: (1E,3R)-1-tert-butoxycarbonylimino-3-(9-methylsulfonyloxynonyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-2,4-dicarboxylic acid O4-[4-[bis(tert-butoxycarbonylamino)methyleneamino]butyl] ester O2-tert-butyl ester Formula: C43H74N6O13S MolecularWeight: 915.14506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCCCCOC(=O)C1=C2CCCN2C(=NC(=O)OC(C)(C)C)N(C1CCCCCCCCCOS(=O)(=O)C)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=NCCCCOC(=O)C1=C2CCCN2/C(=N\C(=O)OC(C)(C)C)/N([C@@H]1CCCCCCCCCOS(=O)(=O)C)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C43H74N6O13S/c1-40(2,3)59-36(51)45-34(46-37(52)60-41(4,5)6)44-26-20-22-28-57-33(50)32-30-25-23-27-48(30)35(47-38(53)61-42(7,8)9)49(39(54)62-43(10,11)12)31(32)24-19-17-15-14-16-18-21-29-58-63(13,55)56/h31H,14-29H2,1-13H3,(H2,44,45,46,51,52)/b47-35+/t31-/m1/s1