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

Systemtic Name: (2S)-1-[1-[6-bromanyl-1-(2-carboxyethyl)indol-3-yl]-2-oxidanyl-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[1-[6-bromo-1-(2-carboxyethyl)indol-3-yl]-2-hydroxy-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[1-[6-bromo-1-(2-carboxyethyl)-3-indolyl]-2-hydroxy-2-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[1-[6-bromo-1-(2-carboxyethyl)indol-3-yl]-2-hydroxy-2-oxoethyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[1-[6-bromo-1-(2-carboxyethyl)indol-3-yl]-2-hydroxy-2-keto-ethyl]proline Formula: C18H19BrN2O6 MolecularWeight: 439.25726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O6/c19-10-3-4-11-12(9-20(14(11)8-10)7-5-15(22)23)16(18(26)27)21-6-1-2-13(21)17(24)25/h3-4,8-9,13,16H,1-2,5-7H2,(H,22,23)(H,24,25)(H,26,27)/t13-,16?/m0/s1