(2R,3S)-1-(9,10-dihydrophenanthren-2-ylcarbonyl)piperazine-2,3-dicarboxylic acid

Systemtic Name: (2R,3S)-1-(9,10-dihydrophenanthren-2-ylcarbonyl)piperazine-2,3-dicarboxylic acid Openeye Name: (2R,3S)-1-(9,10-dihydrophenanthrene-2-carbonyl)piperazine-2,3-dicarboxylic acid CAS Name: (2R,3S)-1-[9,10-dihydrophenanthren-2-yl(oxo)methyl]piperazine-2,3-dicarboxylic acid IUPAC Name: (2R,3S)-1-(9,10-dihydrophenanthrene-2-carbonyl)piperazine-2,3-dicarboxylic acid Traditional Name: (2R,3S)-1-(9,10-dihydrophenanthrene-2-carbonyl)piperazine-2,3-dicarboxylic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)N3CCNC(C3C(=O)O)C(=O)O)C4=CC=CC=C41

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)N3CCN[C@@H]([C@@H]3C(=O)O)C(=O)O)C4=CC=CC=C41

InChI

InChI=1S/C21H20N2O5/c24-19(23-10-9-22-17(20(25)26)18(23)21(27)28)14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)16/h1-4,7-8,11,17-18,22H,5-6,9-10H2,(H,25,26)(H,27,28)/t17-,18+/m0/s1