(2S)-2-benzamido-5-[4-(3-nitrophenyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-benzamido-5-[4-(3-nitrophenyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-benzamido-5-[4-(3-nitrophenyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-benzamido-5-[4-(3-nitrophenyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-benzamido-5-[4-(3-nitrophenyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-benzamido-5-keto-5-[4-(3-nitrophenyl)piperazino]valeric acid Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CCC(C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CC[C@@H](C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O6/c27-20(10-9-19(22(29)30)23-21(28)16-5-2-1-3-6-16)25-13-11-24(12-14-25)17-7-4-8-18(15-17)26(31)32/h1-8,15,19H,9-14H2,(H,23,28)(H,29,30)/t19-/m0/s1