(phenylmethyl) (2S)-3-(4-nitrophenyl)-2-[2-oxidanylidene-4-(2-oxidanylidene-2-phenylmethoxy-ethyl)piperazin-1-yl]propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(4-nitrophenyl)-2-[2-oxidanylidene-4-(2-oxidanylidene-2-phenylmethoxy-ethyl)piperazin-1-yl]propanoate Openeye Name: benzyl (2S)-2-[4-(2-benzyloxy-2-oxo-ethyl)-2-oxo-piperazin-1-yl]-3-(4-nitrophenyl)propanoate CAS Name: (2S)-3-(4-nitrophenyl)-2-[2-oxo-4-(2-oxo-2-phenylmethoxyethyl)-1-piperazinyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(4-nitrophenyl)-2-[2-oxo-4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]propanoate Traditional Name: (2S)-2-[4-(2-benzoxy-2-keto-ethyl)-2-keto-piperazino]-3-(4-nitrophenyl)propionic acid benzyl ester Formula: C29H29N3O7 MolecularWeight: 531.55646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC(=O)OCC2=CC=CC=C2)C(CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(=O)CN1CC(=O)OCC2=CC=CC=C2)[C@@H](CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O7/c33-27-18-30(19-28(34)38-20-23-7-3-1-4-8-23)15-16-31(27)26(17-22-11-13-25(14-12-22)32(36)37)29(35)39-21-24-9-5-2-6-10-24/h1-14,26H,15-21H2/t26-/m0/s1