(3S,4aR,6R,8aR)-6-(2-phosphonoethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid

Systemtic Name: (3S,4aR,6R,8aR)-6-(2-phosphonoethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid Openeye Name: (3S,4aR,6R,8aR)-6-(2-phosphonoethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid CAS Name: (3S,4aR,6R,8aR)-6-(2-phosphonoethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid IUPAC Name: (3S,4aR,6R,8aR)-6-(2-phosphonoethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid Traditional Name: (3S,4aR,6R,8aR)-6-(2-phosphonoethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid Formula: C12H22NO5P MolecularWeight: 291.280541

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CNC(CC2CC1CCP(=O)(O)O)C(=O)O

Isomeric SMILES

C1C[C@H]2CN[C@@H](C[C@H]2C[C@@H]1CCP(=O)(O)O)C(=O)O

InChI

InChI=1S/C12H22NO5P/c14-12(15)11-6-10-5-8(3-4-19(16,17)18)1-2-9(10)7-13-11/h8-11,13H,1-7H2,(H,14,15)(H2,16,17,18)/t8-,9-,10+,11-/m0/s1