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PDBeChem : Molecule Descriptors
Molecule : CZ2
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C3H8AsNO4S/c5-2(3(6)7)1-10-4(8)9/h2,8-9H,1,5H2,(H,6,7)/t2-/m0/s1 |
2 |
InChIKey
|
InChI |
1.03 |
FZFDBYKEUGDOOP-REOHCLBHSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
O=C(O)C(N)CS[As](O)O |
4 |
SMILES
|
CACTVS |
3.341 |
N[CH](CS[As](O)O)C(O)=O |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(C(C(=O)O)N)S[As](O)O |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
N[C@@H](CS[As](O)O)C(O)=O |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C([C@@H](C(=O)O)N)S[As](O)O |
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