96Z
Summary
| Name: | (2~{S})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid |
| Formula: | C13 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 217.264 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H15NO2/c14-12(13(15)16)8-10-7-6-9-4-2-1-3-5-11(9)10/h2-6,12H,1,7-8,14H2,(H,15,16)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | HICXVJKDDWMICV-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC1=C2C=CCC=CC2=CC1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC1=C2C=CCC=CC2=CC1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1C=CC2=CCC(=C2C=C1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C=CC2=CCC(=C2C=C1)CC(C(=O)O)N |
