WET
Summary
| Name: | L-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
| Synonyms: | (3~{S})-7-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
| Formula: | C10 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 193.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-7-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | HIKCRLDSCSWXML-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1Cc2ccc(O)cc2CN1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1Cc2ccc(O)cc2CN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1O)CN[C@@H](C2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1O)CNC(C2)C(=O)O |
