[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O5/c1-19(2)23(27-26(32)33-18-21-10-6-4-7-11-21)25(31)34-20(3)24(30)29-16-14-28(15-17-29)22-12-8-5-9-13-22/h4-13,19-20,23H,14-18H2,1-3H3,(H,27,32)/t20?,23-/m0/s1