8IK
Summary
| Name: | (2S)-2-azanyl-3-(6-methyl-1H-indol-3-yl)propanoic acid |
| Formula: | C12 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 218.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-(6-methyl-1~{H}-indol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O2/c1-7-2-3-9-8(5-10(13)12(15)16)6-14-11(9)4-7/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | GDMRVYIFGPMUCG-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2c(C[C@H](N)C(O)=O)c[nH]c2c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc2c(C[CH](N)C(O)=O)c[nH]c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)[nH]cc2C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)[nH]cc2CC(C(=O)O)N |
