ditert-butyl 2-[3-oxidanylidene-2-(phenylmethoxycarbonylamino)-3-piperazin-1-yl-propyl]propanedioate

Systemtic Name: ditert-butyl 2-[3-oxidanylidene-2-(phenylmethoxycarbonylamino)-3-piperazin-1-yl-propyl]propanedioate Openeye Name: ditert-butyl 2-[2-(benzyloxycarbonylamino)-3-oxo-3-piperazin-1-yl-propyl]propanedioate CAS Name: 2-[3-oxo-2-(phenylmethoxycarbonylamino)-3-(1-piperazinyl)propyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[3-oxo-2-(phenylmethoxycarbonylamino)-3-piperazin-1-ylpropyl]propanedioate Traditional Name: 2-[2-(benzyloxycarbonylamino)-3-keto-3-piperazino-propyl]malonic acid ditert-butyl ester Formula: C26H39N3O7 MolecularWeight: 505.60376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC(C(=O)N1CCNCC1)NC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(CC(C(=O)N1CCNCC1)NC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H39N3O7/c1-25(2,3)35-22(31)19(23(32)36-26(4,5)6)16-20(21(30)29-14-12-27-13-15-29)28-24(33)34-17-18-10-8-7-9-11-18/h7-11,19-20,27H,12-17H2,1-6H3,(H,28,33)