TRN
Summary
| Name: | NZ2-TRYPTOPHAN |
| Formula: | C10 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 205.213 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(1H-pyrrolo[5,4-b]pyridin-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc2c1cccnc1nc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1c[nH]c2ncccc12)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1c[nH]c2ncccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(c[nH]c2nc1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(c[nH]c2nc1)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | SNLOIIPRZGMRAB-QMMMGPOBSA-N |
