ditert-butyl 7-[2-(phenylmethoxycarbonylamino)ethanoyl]-1,4,7-triazonane-1,4-dicarboxylate

Systemtic Name: ditert-butyl 7-[2-(phenylmethoxycarbonylamino)ethanoyl]-1,4,7-triazonane-1,4-dicarboxylate Openeye Name: ditert-butyl 7-[2-(benzyloxycarbonylamino)acetyl]-1,4,7-triazonane-1,4-dicarboxylate CAS Name: 7-[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]-1,4,7-triazonane-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 7-[2-(phenylmethoxycarbonylamino)acetyl]-1,4,7-triazonane-1,4-dicarboxylate Traditional Name: 7-[2-(benzyloxycarbonylamino)acetyl]-1,4,7-triazonane-1,4-dicarboxylic acid ditert-butyl ester Formula: C26H40N4O7 MolecularWeight: 520.6184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CCN(CC1)C(=O)OC(C)(C)C)C(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CCN(CC1)C(=O)OC(C)(C)C)C(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H40N4O7/c1-25(2,3)36-23(33)29-14-12-28(13-15-30(17-16-29)24(34)37-26(4,5)6)21(31)18-27-22(32)35-19-20-10-8-7-9-11-20/h7-11H,12-19H2,1-6H3,(H,27,32)