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PDBeChem : Molecule Descriptors
Molecule : KVT
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C20H28N4O5S/c1-14-8-9-15(12-16(14)30(28,29)23-10-6-4-5-7-11-23)21-17(25)13-24-18(26)20(2,3)22-19(24)27/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,25)(H,22,27) |
2 |
InChIKey
|
InChI |
1.03 |
ZHCSIBLDPZYQBH-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
Cc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1[S](=O)(=O)N3CCCCCC3 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1ccc(cc1S(=O)(=O)N2CCCCCC2)NC(=O)CN3C(=O)C(NC3=O)(C)C |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
Cc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1[S](=O)(=O)N3CCCCCC3 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1ccc(cc1S(=O)(=O)N2CCCCCC2)NC(=O)CN3C(=O)C(NC3=O)(C)C |
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