4AW
Summary
| Name: | 4-AZATRYPTOPHAN |
| Formula: | C10 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 205.213 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(1H-pyrrolo[3,2-b]pyridin-3-yl)-L-alanine |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc2c1ncccc1nc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H11N3O2/c11-7(10(14)15)4-6-5-13-8-2-1-3-12-9(6)8/h1-3,5,7,13H,4,11H2,(H,14,15)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | FICCYWIDRZLXIS-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1c[nH]c2cccnc12)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1c[nH]c2cccnc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(c(c[nH]2)C[C@@H](C(=O)O)N)nc1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(c(c[nH]2)CC(C(=O)O)N)nc1 |
