(2S,3R)-1-(10-bromanylphenanthren-2-yl)carbonylpiperazine-2,3-dicarboxylic acid

Systemtic Name: (2S,3R)-1-(10-bromanylphenanthren-2-yl)carbonylpiperazine-2,3-dicarboxylic acid Openeye Name: (2S,3R)-1-(10-bromophenanthrene-2-carbonyl)piperazine-2,3-dicarboxylic acid CAS Name: (2S,3R)-1-[(10-bromo-2-phenanthrenyl)-oxomethyl]piperazine-2,3-dicarboxylic acid IUPAC Name: (2S,3R)-1-(10-bromophenanthrene-2-carbonyl)piperazine-2,3-dicarboxylic acid Traditional Name: (2S,3R)-1-(10-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=CC=CC=C4C=C3Br

Isomeric SMILES

C1CN([C@@H]([C@@H](N1)C(=O)O)C(=O)O)C(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C=C3Br

InChI

InChI=1S/C21H17BrN2O5/c22-16-10-11-3-1-2-4-13(11)14-6-5-12(9-15(14)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+/m1/s1