O4-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]butyl] O2-tert-butyl (1E,3R)-1-[(2-methylpropan-2-yl)oxycarbonylimino]-3-(9-oxidanylnonyl)-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-oxidanylnonyl)-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-hydroxynonyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-2,4-dicarboxylate CAS Name: (1E,3R)-3-(9-hydroxynonyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]imino-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)-3-(9-hydroxynonyl)-1-[(2-methylpropan-2-yl)oxycarbonylimino]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-2,4-dicarboxylate Traditional Name: (1E,3R)-1-tert-butoxycarbonylimino-3-(9-hydroxynonyl)-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: C42H72N6O11 MolecularWeight: 837.05468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCCCCOC(=O)C1=C2CCCN2C(=NC(=O)OC(C)(C)C)N(C1CCCCCCCCCO)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]1CCCCCCCCCO)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C42H72N6O11/c1-39(2,3)56-35(51)44-33(45-36(52)57-40(4,5)6)43-25-19-21-28-55-32(50)31-29-24-22-26-47(29)34(46-37(53)58-41(7,8)9)48(38(54)59-42(10,11)12)30(31)23-18-16-14-13-15-17-20-27-49/h30,49H,13-28H2,1-12H3,(H2,43,44,45,51,52)/b46-34+/t30-/m1/s1