PRJ
Summary
| Name: | (2S,3aS,6R,7aS)-6-hydroxyoctahydro-1H-indole-2-carboxylic acid |
| Formula: | C9 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 185.22 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3aS,6R,7aS)-6-hydroxyoctahydro-1H-indole-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.0 | (2S,3aS,6R,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1NC2CC(O)CCC2C1 |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@@H]1CC[C@H]2C[C@H](N[C@H]2C1)C(O)=O |
| SMILES | CACTVS | 3.370 | O[CH]1CC[CH]2C[CH](N[CH]2C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1C[C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1CC(CC2C1CC(N2)C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H15NO3/c11-6-2-1-5-3-8(9(12)13)10-7(5)4-6/h5-8,10-11H,1-4H2,(H,12,13)/t5-,6+,7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | LKYGWJKCHDDFLW-YWIQKCBGSA-N |
