(4S)-7-(2-carboxyethyl)-9-oxidanyl-6-oxidanylidene-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid

Systemtic Name: (4S)-7-(2-carboxyethyl)-9-oxidanyl-6-oxidanylidene-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid Openeye Name: (4S)-7-(2-carboxyethyl)-9-hydroxy-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid CAS Name: (4S)-7-(2-carboxyethyl)-9-hydroxy-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid IUPAC Name: (4S)-7-(2-carboxyethyl)-9-hydroxy-6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid Traditional Name: (4S)-7-(2-carboxyethyl)-9-hydroxy-6-keto-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2C(=C(C=C(C2=O)CCC(=O)O)O)C1)C(=O)O

Isomeric SMILES

C1C[C@H](N2C(=C(C=C(C2=O)CCC(=O)O)O)C1)C(=O)O

InChI

InChI=1S/C13H15NO6/c15-10-6-7(4-5-11(16)17)12(18)14-8(10)2-1-3-9(14)13(19)20/h6,9,15H,1-5H2,(H,16,17)(H,19,20)/t9-/m0/s1