XUJ
Summary
Name: | (2R)-2-amino-4-boronobutanoic acid |
Formula: | C4 H10 B N O4 |
Formal charge: | 0 |
Formula weight: | 146.937 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2R)-2-amino-4-boronobutanoic acid |
OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-4-(dihydroxyboranyl)butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | B(O)(CCC(C(O)=O)N)O |
InChI | InChI | 1.03 | InChI=1S/C4H10BNO4/c6-3(4(7)8)1-2-5(9)10/h3,9-10H,1-2,6H2,(H,7,8)/t3-/m1/s1 |
InChIKey | InChI | 1.03 | KSYFGBKMRXVJSG-GSVOUGTGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CCB(O)O)C(O)=O |
SMILES | CACTVS | 3.385 | N[CH](CCB(O)O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(CC[C@H](C(=O)O)N)(O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | B(CCC(C(=O)O)N)(O)O |