XSA
Summary
| Name: | (2R)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid |
| Formula: | C6 H15 B N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 190.005 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-[(2-aminoethyl)amino]-4-boronobutanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-(2-azanylethylamino)-4-(dihydroxyboranyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(O)=O)(NCCN)CCB(O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H15BN2O4/c8-3-4-9-5(6(10)11)1-2-7(12)13/h5,9,12-13H,1-4,8H2,(H,10,11)/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | KLPDWPAGBCOYKE-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCN[C@H](CCB(O)O)C(O)=O |
| SMILES | CACTVS | 3.385 | NCCN[CH](CCB(O)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(CC[C@H](C(=O)O)NCCN)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(CCC(C(=O)O)NCCN)(O)O |
