6CV
Summary
| Name: | 3-bromo-L-phenylalanine |
| Formula: | C9 H10 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 244.085 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-bromo-L-phenylalanine |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-2-azanyl-3-(3-bromophenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cccc(CC(N)C(O)=O)c1 |
| InChI | InChI | 1.03 | InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | GDMOHOYNMWWBAU-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1cccc(Br)c1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1cccc(Br)c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)Br)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)Br)CC(C(=O)O)N |
