O1-tert-butyl O2-methyl (2S,4S)-4-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2S,4S)-4-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2S,4S)-4-(4-benzamido-2-oxo-pyrimidin-1-yl)pyrrolidine-1,2-dicarboxylate CAS Name: (2S,4S)-4-(4-benzamido-2-oxo-1-pyrimidinyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,4S)-4-(4-benzamido-2-oxopyrimidin-1-yl)pyrrolidine-1,2-dicarboxylate Traditional Name: (2S,4S)-4-(4-benzamido-2-keto-pyrimidin-1-yl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O6/c1-22(2,3)32-21(30)26-13-15(12-16(26)19(28)31-4)25-11-10-17(24-20(25)29)23-18(27)14-8-6-5-7-9-14/h5-11,15-16H,12-13H2,1-4H3,(H,23,24,27,29)/t15-,16-/m0/s1