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PDBeChem : Molecule Descriptors
Molecule : FHF
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C19H28FN3O4/c1-4-5-8-14(11-23(27)12-24)18(25)17(13(2)3)22-19(26)21-16-10-7-6-9-15(16)20/h6-7,9-10,12-14,17,27H,4-5,8,11H2,1-3H3,(H2,21,22,26)/t14-,17+/m1/s1 |
2 |
InChIKey
|
InChI |
1.03 |
OWFALUNDSZEADU-PBHICJAKSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
O=C(Nc1ccccc1F)NC(C(=O)C(CCCC)CN(O)C=O)C(C)C |
4 |
SMILES
|
CACTVS |
3.370 |
CCCC[CH](CN(O)C=O)C(=O)[CH](NC(=O)Nc1ccccc1F)C(C)C |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.2 |
CCCCC(CN(C=O)O)C(=O)C(C(C)C)NC(=O)Nc1ccccc1F |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(=O)Nc1ccccc1F)C(C)C |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.2 |
CCCC[C@H](CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccccc1F |
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