(2R,3S)-1-[(7-bromanyl-9,10-dihydrophenanthren-2-yl)carbonyl]piperazine-2,3-dicarboxylic acid

Systemtic Name: (2R,3S)-1-[(7-bromanyl-9,10-dihydrophenanthren-2-yl)carbonyl]piperazine-2,3-dicarboxylic acid Openeye Name: (2R,3S)-1-(7-bromo-9,10-dihydrophenanthrene-2-carbonyl)piperazine-2,3-dicarboxylic acid CAS Name: (2R,3S)-1-[(7-bromo-9,10-dihydrophenanthren-2-yl)-oxomethyl]piperazine-2,3-dicarboxylic acid IUPAC Name: (2R,3S)-1-(7-bromo-9,10-dihydrophenanthrene-2-carbonyl)piperazine-2,3-dicarboxylic acid Traditional Name: (2R,3S)-1-(7-bromo-9,10-dihydrophenanthrene-2-carbonyl)piperazine-2,3-dicarboxylic acid Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)C(=O)N4CCNC(C4C(=O)O)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)C(=O)N4CCN[C@@H]([C@@H]4C(=O)O)C(=O)O

InChI

InChI=1S/C21H19BrN2O5/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/h3-6,9-10,17-18,23H,1-2,7-8H2,(H,26,27)(H,28,29)/t17-,18+/m0/s1