O1-tert-butyl O3-(phenylmethyl) 4-(2-azanylethanoyl)-3-phenyl-piperazine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-(phenylmethyl) 4-(2-azanylethanoyl)-3-phenyl-piperazine-1,3-dicarboxylate Openeye Name: O3-benzyl O1-tert-butyl 4-(2-aminoacetyl)-3-phenyl-piperazine-1,3-dicarboxylate CAS Name: 4-(2-amino-1-oxoethyl)-3-phenylpiperazine-1,3-dicarboxylic acid O1-tert-butyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O-tert-butyl 4-(2-aminoacetyl)-3-phenylpiperazine-1,3-dicarboxylate Traditional Name: 4-glycyl-3-phenyl-piperazine-1,3-dicarboxylic acid O3-benzyl ester O1-tert-butyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)CN

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)CN

InChI

InChI=1S/C25H31N3O5/c1-24(2,3)33-23(31)27-14-15-28(21(29)16-26)25(18-27,20-12-8-5-9-13-20)22(30)32-17-19-10-6-4-7-11-19/h4-13H,14-18,26H2,1-3H3