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 |