A1AT6
Summary
| Name: | (2S)-2,3-dihydro-1H-indole-2-carboxylic acid |
| Formula: | C9 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 163.173 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2,3-dihydro-1H-indole-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2,3-dihydro-1~{H}-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1Cc2ccccc2N1 |
| InChI | InChI | 1.06 | InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | QNRXNRGSOJZINA-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1Cc2ccccc2N1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1Cc2ccccc2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C[C@H](N2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CC(N2)C(=O)O |
