ditert-butyl 2-[3-[2-(methylamino)imidazol-1-yl]propylcarbamoyl]piperazine-1,4-dicarboxylate

Systemtic Name: ditert-butyl 2-[3-[2-(methylamino)imidazol-1-yl]propylcarbamoyl]piperazine-1,4-dicarboxylate Openeye Name: ditert-butyl 2-[3-[2-(methylamino)imidazol-1-yl]propylcarbamoyl]piperazine-1,4-dicarboxylate CAS Name: 2-[[3-[2-(methylamino)-1-imidazolyl]propylamino]-oxomethyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[3-[2-(methylamino)imidazol-1-yl]propylcarbamoyl]piperazine-1,4-dicarboxylate Traditional Name: 2-[3-[2-(methylamino)imidazol-1-yl]propylcarbamoyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester Formula: C22H38N6O5 MolecularWeight: 466.57432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NCCCN2C=CN=C2NC)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NCCCN2C=CN=C2NC)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H38N6O5/c1-21(2,3)32-19(30)27-13-14-28(20(31)33-22(4,5)6)16(15-27)17(29)24-9-8-11-26-12-10-25-18(26)23-7/h10,12,16H,8-9,11,13-15H2,1-7H3,(H,23,25)(H,24,29)