(2R,3S)-1-(7-bromanylphenanthren-2-yl)carbonylpiperazine-2,3-dicarboxylic acid

Systemtic Name: (2R,3S)-1-(7-bromanylphenanthren-2-yl)carbonylpiperazine-2,3-dicarboxylic acid Openeye Name: (2R,3S)-1-(7-bromophenanthrene-2-carbonyl)piperazine-2,3-dicarboxylic acid CAS Name: (2R,3S)-1-[(7-bromo-2-phenanthrenyl)-oxomethyl]piperazine-2,3-dicarboxylic acid IUPAC Name: (2R,3S)-1-(7-bromophenanthrene-2-carbonyl)piperazine-2,3-dicarboxylic acid Traditional Name: (2R,3S)-1-(7-bromophenanthrene-2-carbonyl)piperazine-2,3-dicarboxylic acid Formula: C21H17BrN2O5 MolecularWeight: 457.27408

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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=C2)C4=C(C=C3)C=C(C=C4)Br

Isomeric SMILES

C1CN([C@H]([C@H](N1)C(=O)O)C(=O)O)C(=O)C2=CC3=C(C=C2)C4=C(C=C3)C=C(C=C4)Br

InChI

InChI=1S/C21H17BrN2O5/c22-14-4-6-16-12(10-14)2-1-11-9-13(3-5-15(11)16)19(25)24-8-7-23-17(20(26)27)18(24)21(28)29/h1-6,9-10,17-18,23H,7-8H2,(H,26,27)(H,28,29)/t17-,18+/m0/s1