33W
Summary
| Name: | 3-(5-bromothiophen-2-yl)-L-alanine |
| Formula: | C7 H8 Br N O2 S |
| Formal charge: | 0 |
| Formula weight: | 250.113 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(5-bromothiophen-2-yl)-L-alanine |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-3-(5-bromanylthiophen-2-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1sc(cc1)CC(N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H8BrNO2S/c8-6-2-1-4(12-6)3-5(9)7(10)11/h1-2,5H,3,9H2,(H,10,11)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | LKORPMMOJAJYLC-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1sc(Br)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1sc(Br)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(sc1C[C@@H](C(=O)O)N)Br |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(sc1CC(C(=O)O)N)Br |
