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

Systemtic Name: ditert-butyl 2-[3-(2-azanylimidazol-1-yl)propylcarbamoyl]piperazine-1,4-dicarboxylate Openeye Name: ditert-butyl 2-[3-(2-aminoimidazol-1-yl)propylcarbamoyl]piperazine-1,4-dicarboxylate CAS Name: 2-[[3-(2-amino-1-imidazolyl)propylamino]-oxomethyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[3-(2-aminoimidazol-1-yl)propylcarbamoyl]piperazine-1,4-dicarboxylate Traditional Name: 2-[3-(2-aminoimidazol-1-yl)propylcarbamoyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester Formula: C21H36N6O5 MolecularWeight: 452.54774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NCCCN2C=CN=C2N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NCCCN2C=CN=C2N)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H36N6O5/c1-20(2,3)31-18(29)26-12-13-27(19(30)32-21(4,5)6)15(14-26)16(28)23-8-7-10-25-11-9-24-17(25)22/h9,11,15H,7-8,10,12-14H2,1-6H3,(H2,22,24)(H,23,28)