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

Systemtic Name: (2S)-5-[4-(3-nitrophenyl)piperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-[4-(3-nitrophenyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-5-[4-(3-nitrophenyl)-1-piperazinyl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-[4-(3-nitrophenyl)piperazin-1-yl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-keto-5-[4-(3-nitrophenyl)piperazino]valeric acid Formula: C23H26N4O7 MolecularWeight: 470.47514

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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)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O7/c28-21(26-13-11-25(12-14-26)18-7-4-8-19(15-18)27(32)33)10-9-20(22(29)30)24-23(31)34-16-17-5-2-1-3-6-17/h1-8,15,20H,9-14,16H2,(H,24,31)(H,29,30)/t20-/m0/s1