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PDBeChem : Molecule Descriptors
Molecule : HNU
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.06 |
InChI=1S/C10H17N3O3/c1-3-6-12-10(16)8(13-7(2)14)4-5-9(11)15/h3,8H,1,4-6H2,2H3,(H2,11,15)(H,12,16)(H,13,14)/t8-/m0/s1 |
2 |
InChIKey
|
InChI |
1.06 |
HRGCJYNJCSFORH-QMMMGPOBSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CC(=O)N[CH](CCC(N)=O)C(=O)NCC=C |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CC(=O)NC(CCC(=O)N)C(=O)NCC=C |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC=C |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CC(=O)N[C@@H](CCC(=O)N)C(=O)NCC=C |
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