BLJ
Summary
| Name: | (2S)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid |
| Formula: | C5 H12 As N O4 |
| Formal charge: | 0 |
| Formula weight: | 225.075 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-4-[methyl(oxidanyl)arsoryl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [As](CCC(C(=O)O)N)(=O)(O)C |
| InChI | InChI | 1.03 | InChI=1S/C5H12AsNO4/c1-6(10,11)3-2-4(7)5(8)9/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | CXTQPLOKUBDLTK-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[As](O)(=O)CC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | C[As](O)(=O)CC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[As](=O)(CC[C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C[As](=O)(CCC(C(=O)O)N)O |
