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PDBeChem : Molecule Descriptors
Molecule : QNT
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C11H15NO4S/c1-5-3-8(6(2)10(14)9(5)13)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1 |
2 |
InChIKey
|
InChI |
1.03 |
UEMGXFDZIILASV-ZETCQYMHSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
Cc1cc(SC[CH](N)C(O)=O)c(C)c(O)c1O |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1cc(c(c(c1O)O)C)SCC(C(=O)O)N |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
Cc1cc(SC[C@H](N)C(O)=O)c(C)c(O)c1O |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1cc(c(c(c1O)O)C)SC[C@@H](C(=O)O)N |
|