(2S,3R)-3-(carboxymethyl)-1-ethanoyl-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: (2S,3R)-3-(carboxymethyl)-1-ethanoyl-2,3-dihydroindole-2-carboxylic acid Openeye Name: (2S,3R)-1-acetyl-3-(carboxymethyl)indoline-2-carboxylic acid CAS Name: (2S,3R)-1-acetyl-3-(carboxymethyl)-2,3-dihydroindole-2-carboxylic acid IUPAC Name: (2S,3R)-1-acetyl-3-(carboxymethyl)-2,3-dihydroindole-2-carboxylic acid Traditional Name: (2S,3R)-1-acetyl-3-(carboxymethyl)indoline-2-carboxylic acid Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C(C2=CC=CC=C21)CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N1[C@@H]([C@@H](C2=CC=CC=C21)CC(=O)O)C(=O)O

InChI

InChI=1S/C13H13NO5/c1-7(15)14-10-5-3-2-4-8(10)9(6-11(16)17)12(14)13(18)19/h2-5,9,12H,6H2,1H3,(H,16,17)(H,18,19)/t9-,12+/m1/s1