(2S)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-(4-phenylpiperazin-1-yl)pentanoic acid

Systemtic Name: (2S)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-(4-phenylpiperazin-1-yl)pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid CAS Name: (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-(4-phenyl-1-piperazinyl)pentanoic acid IUPAC Name: (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-(4-phenylpiperazin-1-yl)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-keto-5-(4-phenylpiperazino)valeric acid Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CC[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O5/c27-21(26-15-13-25(14-16-26)19-9-5-2-6-10-19)12-11-20(22(28)29)24-23(30)31-17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,30)(H,28,29)/t20-/m0/s1