(2R,3S)-1-phenanthren-3-ylcarbonylpiperazine-2,3-dicarboxylic acid

Systemtic Name: (2R,3S)-1-phenanthren-3-ylcarbonylpiperazine-2,3-dicarboxylic acid Openeye Name: (2R,3S)-1-(phenanthrene-3-carbonyl)piperazine-2,3-dicarboxylic acid CAS Name: (2R,3S)-1-[oxo(3-phenanthrenyl)methyl]piperazine-2,3-dicarboxylic acid IUPAC Name: (2R,3S)-1-(phenanthrene-3-carbonyl)piperazine-2,3-dicarboxylic acid Traditional Name: (2R,3S)-1-(phenanthrene-3-carbonyl)piperazine-2,3-dicarboxylic acid Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(N1)C(=O)O)C(=O)O)C(=O)C2=CC3=C(C=CC4=CC=CC=C43)C=C2

Isomeric SMILES

C1CN([C@H]([C@H](N1)C(=O)O)C(=O)O)C(=O)C2=CC3=C(C=CC4=CC=CC=C43)C=C2

InChI

InChI=1S/C21H18N2O5/c24-19(23-10-9-22-17(20(25)26)18(23)21(27)28)14-8-7-13-6-5-12-3-1-2-4-15(12)16(13)11-14/h1-8,11,17-18,22H,9-10H2,(H,25,26)(H,27,28)/t17-,18+/m0/s1