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PDBeChem : Molecule Descriptors
Molecule : OX6
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m1/s1 |
2 |
InChIKey
|
InChI |
1.03 |
PARUDDGQWSBIIO-MRVPVSSYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
O=C(OC(C)(C)C)NC(c1nnco1)C(C)C |
4 |
SMILES
|
CACTVS |
3.341 |
CC(C)[CH](NC(=O)OC(C)(C)C)c1ocnn1 |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC(C)C(c1nnco1)NC(=O)OC(C)(C)C |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
CC(C)[C@@H](NC(=O)OC(C)(C)C)c1ocnn1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC(C)[C@H](c1nnco1)NC(=O)OC(C)(C)C |
|