| PDB CCD ID: | QIP |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C9 H14 N4 O4 S |
| InChI: | InChI=1S/C9H14N4O4S/c1-18-3-2-5(10)9(17)12-6(14)4-13(9)8(16)7(11)15/h10,17H,2-4H2,1H3,(H2,11,15)(H,12,14)/b10-5-/t9-/m0/s1 |
| InChIKey: | IAJSNMSZNKJHRX-QFQXNISHSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 3.1.0.0 | CSCCC(=N)C1(NC(=O)CN1C(=O)C(=O)N)O | | OpenEye OEToolkits 3.1.0.0 | [H]/N=C(/CCSC)\[C@@]1(NC(=O)CN1C(=O)C(=O)N)O | | CACTVS 3.385 | CSCCC(=N)[C@]1(O)NC(=O)CN1C(=O)C(N)=O | | CACTVS 3.385 | CSCCC(=N)[C]1(O)NC(=O)CN1C(=O)C(N)=O |
|
| Name: | 2-[(2~{S})-2-(3-methylsulfanylpropanimidoyl)-2-oxidanyl-4-oxidanylidene-imidazolidin-1-yl]-2-oxidanylidene-ethanamide;
CHROMOPHORE (MET-TYR-GLY) |
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