A1H2D
Summary
| Name: | (2~{S})-2-azanyl-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]propanoic acid |
| Formula: | C11 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 206.241 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H14N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,7,9,13H,5-6,12H2,(H,14,15)/t7-,9+/m1/s1 |
| InChIKey | InChI | 1.06 | SPHNJDOWMOXSMT-APPZFPTMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C[C@@H]1CNc2ccccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](C[CH]1CNc2ccccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)[C@@H](CN2)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(CN2)CC(C(=O)O)N |
