3-[1-[(2S)-2-carboxypyrrolidin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[1-[(2S)-2-carboxypyrrolidin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[1-[(2S)-2-carboxypyrrolidin-1-yl]-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[1-[(2S)-2-carboxy-1-pyrrolidinyl]-2-hydroxy-2-oxoethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[1-[(2S)-2-carboxypyrrolidin-1-yl]-2-hydroxy-2-oxoethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[1-[(2S)-2-carboxypyrrolidino]-2-hydroxy-2-keto-ethyl]-1-methyl-indole-2-carboxylic acid Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCCC3C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCC[C@H]3C(=O)O

InChI

InChI=1S/C17H18N2O6/c1-18-10-6-3-2-5-9(10)12(13(18)16(22)23)14(17(24)25)19-8-4-7-11(19)15(20)21/h2-3,5-6,11,14H,4,7-8H2,1H3,(H,20,21)(H,22,23)(H,24,25)/t11-,14?/m0/s1