DI8
Summary
| Name: | (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
| Formula: | C10 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 177.2 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C2NCc1ccccc1C2 |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | BWKMGYQJPOAASG-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1Cc2ccccc2CN1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1Cc2ccccc2CN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C[C@H](NC2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)CC(NC2)C(=O)O |
