O4-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]butyl] O2-(phenylmethyl) (1E,3R,4S,4aS,7S)-7-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyundecyl]-3-methyl-1-phenylmethoxycarbonylimino-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-2,4-dicarboxylate

Systemtic Name: O4-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]butyl] O2-(phenylmethyl) (1E,3R,4S,4aS,7S)-7-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyundecyl]-3-methyl-1-phenylmethoxycarbonylimino-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-2,4-dicarboxylate Openeye Name: O2-benzyl O4-[4-[bis(tert-butoxycarbonylamino)methyleneamino]butyl] (1E,3R,4S,4aS,7S)-1-benzyloxycarbonylimino-7-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyundecyl]-3-methyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-2,4-dicarboxylate CAS Name: (1E,3R,4S,4aS,7S)-7-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyundecyl]-3-methyl-1-phenylmethoxycarbonylimino-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-2,4-dicarboxylic acid O4-[4-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]butyl] ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 4-O-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]butyl] (1E,3R,4S,4aS,7S)-7-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyundecyl]-3-methyl-1-phenylmethoxycarbonylimino-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-2,4-dicarboxylate Traditional Name: (1E,3R,4S,4aS,7S)-7-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyundecyl]-1-carbobenzoxyimino-3-methyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-2,4-dicarboxylic acid O2-benzyl ester O4-[4-[bis(tert-butoxycarbonylamino)methyleneamino]butyl] ester Formula: C57H90N6O11Si MolecularWeight: 1063.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC1CCC2N1C(=NC(=O)OCC3=CC=CC=C3)N(C(C2C(=O)OCCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C)C(=O)OCC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C

Isomeric SMILES

CCCCCCCCC[C@@H](C[C@@H]1CC[C@@H]2N1/C(=N\C(=O)OCC3=CC=CC=C3)/N([C@@H]([C@@H]2C(=O)OCCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C)C(=O)OCC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C57H90N6O11Si/c1-14-15-16-17-18-19-26-33-45(74-75(12,13)57(9,10)11)38-44-34-35-46-47(48(64)69-37-28-27-36-58-49(59-52(66)72-55(3,4)5)60-53(67)73-56(6,7)8)41(2)62(54(68)71-40-43-31-24-21-25-32-43)50(63(44)46)61-51(65)70-39-42-29-22-20-23-30-42/h20-25,29-32,41,44-47H,14-19,26-28,33-40H2,1-13H3,(H2,58,59,60,66,67)/b61-50-/t41-,44+,45+,46+,47+/m1/s1