3-[[2-(2-carboxyethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(2-carboxyethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-3-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(2-carboxyethyl)-1-oxo-3,4-dihydroisoquinoline-3-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(2-carboxyethyl)-1-oxo-3,4-dihydroisoquinolin-3-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(2-carboxyethyl)-1-oxo-3,4-dihydroisoquinoline-3-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(2-carboxyethyl)-1-keto-3,4-dihydroisoquinoline-3-carbonyl]amino]propionic acid Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)C2=CC=CC=C21)CCC(=O)O)C(=O)NCCC(=O)O

Isomeric SMILES

C1C(N(C(=O)C2=CC=CC=C21)CCC(=O)O)C(=O)NCCC(=O)O

InChI

InChI=1S/C16H18N2O6/c19-13(20)5-7-17-15(23)12-9-10-3-1-2-4-11(10)16(24)18(12)8-6-14(21)22/h1-4,12H,5-9H2,(H,17,23)(H,19,20)(H,21,22)