(2S)-1-[1-[6-bromanyl-1-(carboxymethyl)indol-3-yl]-2-oxidanyl-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[1-[6-bromanyl-1-(carboxymethyl)indol-3-yl]-2-oxidanyl-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[1-[6-bromo-1-(carboxymethyl)indol-3-yl]-2-hydroxy-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[1-[6-bromo-1-(carboxymethyl)-3-indolyl]-2-hydroxy-2-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[1-[6-bromo-1-(carboxymethyl)indol-3-yl]-2-hydroxy-2-oxoethyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[1-[6-bromo-1-(carboxymethyl)indol-3-yl]-2-hydroxy-2-keto-ethyl]proline Formula: C17H17BrN2O6 MolecularWeight: 425.23068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CN(C3=C2C=CC(=C3)Br)CC(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(C2=CN(C3=C2C=CC(=C3)Br)CC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C17H17BrN2O6/c18-9-3-4-10-11(7-19(8-14(21)22)13(10)6-9)15(17(25)26)20-5-1-2-12(20)16(23)24/h3-4,6-7,12,15H,1-2,5,8H2,(H,21,22)(H,23,24)(H,25,26)/t12-,15?/m0/s1