23S
Summary
| Name: | (S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PYRROL-4-YL)-PROPIONIC ACID |
| Formula: | C9 H10 N2 O2 Se |
| Formal charge: | 0 |
| Formula weight: | 257.148 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(6H-selenopheno[2,3-b]pyrrol-4-yl)-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(6H-selenopheno[3,2-d]pyrrol-4-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc2c1cc[se]c1nc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1c[nH]c2[se]ccc12)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1c[nH]c2[se]ccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c[se]c2c1c(c[nH]2)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c[se]c2c1c(c[nH]2)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7,11H,3,10H2,(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | MXAFHQSEFHIRDF-ZETCQYMHSA-N |
