6-methyl-5-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; 5-phosphono-1,2,3,4,5,8-hexahydroisoquinoline-3-carboxylic acid; 5-phosphono-1,2,3,4,5,6,7,8-octahydroisoquinoline-3-carboxylic acid

Systemtic Name: 6-methyl-5-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; 5-phosphono-1,2,3,4,5,8-hexahydroisoquinoline-3-carboxylic acid; 5-phosphono-1,2,3,4,5,6,7,8-octahydroisoquinoline-3-carboxylic acid Openeye Name: 6-methyl-5-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; 5-phosphono-1,2,3,4,5,8-hexahydroisoquinoline-3-carboxylic acid; 5-phosphono-1,2,3,4,5,6,7,8-octahydroisoquinoline-3-carboxylic acid CAS Name: 6-methyl-5-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; 5-phosphono-1,2,3,4,5,8-hexahydroisoquinoline-3-carboxylic acid; 5-phosphono-1,2,3,4,5,6,7,8-octahydroisoquinoline-3-carboxylic acid IUPAC Name: 6-methyl-5-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; 5-phosphono-1,2,3,4,5,8-hexahydroisoquinoline-3-carboxylic acid; 5-phosphono-1,2,3,4,5,6,7,8-octahydroisoquinoline-3-carboxylic acid Traditional Name: 6-methyl-5-phosphono-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; 5-phosphono-1,2,3,4,5,8-hexahydroisoquinoline-3-carboxylic acid; 5-phosphono-1,2,3,4,5,6,7,8-octahydroisoquinoline-3-carboxylic acid Formula: C31H44N3O15P3 MolecularWeight: 791.613443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(CNC(C2)C(=O)O)C=C1)P(=O)(O)O.C1CC(C2=C(C1)CNC(C2)C(=O)O)P(=O)(O)O.C1C=CC(C2=C1CNC(C2)C(=O)O)P(=O)(O)O

Isomeric SMILES

CC1=C(C2=C(CNC(C2)C(=O)O)C=C1)P(=O)(O)O.C1CC(C2=C(C1)CNC(C2)C(=O)O)P(=O)(O)O.C1C=CC(C2=C1CNC(C2)C(=O)O)P(=O)(O)O

InChI

InChI=1S/C11H14NO5P.C10H16NO5P.C10H14NO5P/c1-6-2-3-7-5-12-9(11(13)14)4-8(7)10(6)18(15,16)17;2*12-10(13)8-4-7-6(5-11-8)2-1-3-9(7)17(14,15)16/h2-3,9,12H,4-5H2,1H3,(H,13,14)(H2,15,16,17);8-9,11H,1-5H2,(H,12,13)(H2,14,15,16);1,3,8-9,11H,2,4-5H2,(H,12,13)(H2,14,15,16)