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PDBeChem : Molecule Descriptors
Molecule : 0D3
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C15H21N3O3S/c1-10(14(20)17-8-13(16)19)18-15(21)12(9-22)7-11-5-3-2-4-6-11/h2-6,10,12,22H,7-9H2,1H3,(H2,16,19)(H,17,20)(H,18,21)/t10-,12+/m0/s1 |
2 |
InChIKey
|
InChI |
1.03 |
AUJQAKJLNYFOHT-CMPLNLGQSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
O=C(N)CNC(=O)C(NC(=O)C(CS)Cc1ccccc1)C |
4 |
SMILES
|
CACTVS |
3.352 |
C[CH](NC(=O)[CH](CS)Cc1ccccc1)C(=O)NCC(N)=O |
5 |
Canonical SMILES
|
CACTVS |
3.352 |
C[C@@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)NCC(N)=O |
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