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PDBeChem : Molecule Descriptors
Molecule : 5TX
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C5H10NO6P/c1-5(13(10,11)12)2-3(7)6(9)4(5)8/h3,7,9H,2H2,1H3,(H2,10,11,12)/t3-,5-/m0/s1 |
2 |
InChIKey
|
InChI |
1.03 |
VVBLYPMICKYZTP-UCORVYFPSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
C[C]1(C[CH](O)N(O)C1=O)[P](O)(O)=O |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.4 |
CC1(CC(N(C1=O)O)O)P(=O)(O)O |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
C[C@@]1(C[C@H](O)N(O)C1=O)[P](O)(O)=O |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.4 |
C[C@@]1(C[C@@H](N(C1=O)O)O)P(=O)(O)O |
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