ITR
Summary
| Name: | IMINO-TRYPTOPHAN |
| Formula: | C11 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 202.209 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2Z)-2-imino-3-(1H-indol-3-yl)propanoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-imino-3-(1H-indol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(=[N@H])Cc2c1ccccc1nc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=N)Cc1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.341 | OC(=O)C(=N)Cc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)CC(=N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(c[nH]2)CC(=N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,12-13H,5H2,(H,14,15)/b12-9- |
| InChIKey | InChI | 1.03 | LKYWXXAVLLVJAS-XFXZXTDPSA-N |
