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PDBeChem : Molecule Descriptors
Molecule : L5W
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C8H13NO2/c10-7(9-11)8-3-1-6(5-8)2-4-8/h6,11H,1-5H2,(H,9,10)/t6-,8- |
2 |
InChIKey
|
InChI |
1.03 |
AHBXSKNCOQIRKT-FKQCQYRASA-N |
3 |
SMILES
|
CACTVS |
3.385 |
ONC(=O)C12CCC(CC1)C2 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
C1CC2(CCC1C2)C(=O)NO |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
ONC(=O)C12CCC(CC1)C2 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
C1CC2(CCC1C2)C(=O)NO |
|