O4-tert-butyl O1-(phenylmethyl) 2-[3-(2-aminocarbonylimidazol-1-yl)propylcarbamoyl]piperazine-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) 2-[3-(2-aminocarbonylimidazol-1-yl)propylcarbamoyl]piperazine-1,4-dicarboxylate Openeye Name: O1-benzyl O4-tert-butyl 2-[3-(2-carbamoylimidazol-1-yl)propylcarbamoyl]piperazine-1,4-dicarboxylate CAS Name: 2-[[3-(2-carbamoyl-1-imidazolyl)propylamino]-oxomethyl]piperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl 2-[3-(2-carbamoylimidazol-1-yl)propylcarbamoyl]piperazine-1,4-dicarboxylate Traditional Name: 2-[3-(2-carbamoylimidazol-1-yl)propylcarbamoyl]piperazine-1,4-dicarboxylic acid O1-benzyl ester O4-tert-butyl ester Formula: C25H34N6O6 MolecularWeight: 514.57406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NCCCN2C=CN=C2C(=O)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NCCCN2C=CN=C2C(=O)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H34N6O6/c1-25(2,3)37-23(34)30-14-15-31(24(35)36-17-18-8-5-4-6-9-18)19(16-30)22(33)28-10-7-12-29-13-11-27-21(29)20(26)32/h4-6,8-9,11,13,19H,7,10,12,14-17H2,1-3H3,(H2,26,32)(H,28,33)