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PDBeChem : Molecule Descriptors
Molecule : B2A
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C2H8BNO2/c1-2(4)3(5)6/h2,5-6H,4H2,1H3/t2-/m0/s1 |
2 |
InChIKey
|
InChI |
1.03 |
MEJXSZPJYPOEIL-REOHCLBHSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
OB(O)C(N)C |
4 |
SMILES
|
CACTVS |
3.370 |
C[CH](N)B(O)O |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
B(C(C)N)(O)O |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
C[C@H](N)B(O)O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
B([C@H](C)N)(O)O |
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