A8E
Summary
| Name: | (2S)-2-amino-4-bromopent-4-enoic acid |
| Formula: | C5 H8 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 194.027 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4-bromopent-4-enoic acid |
| OpenEye OEToolkits | 1.7.2 | (2S)-2-azanyl-4-bromanyl-pent-4-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Br\C(=C)CC(N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H8BrNO2/c1-3(6)2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | YTCSGBSYHNQHFD-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CC(Br)=C)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CC(Br)=C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C=C(C[C@@H](C(=O)O)N)Br |
| SMILES | OpenEye OEToolkits | 1.7.2 | C=C(CC(C(=O)O)N)Br |
