QIP
Summary
| Name: | 2-[(2~{S})-2-(3-methylsulfanylpropanimidoyl)-2-oxidanyl-4-oxidanylidene-imidazolidin-1-yl]-2-oxidanylidene-ethanamide |
| Synonyms: | CHROMOPHORE (MET-TYR-GLY) |
| Formula: | C9 H14 N4 O4 S |
| Formal charge: | 0 |
| Formula weight: | 274.297 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 2-[(2~{S})-2-(3-methylsulfanylpropanimidoyl)-2-oxidanyl-4-oxidanylidene-imidazolidin-1-yl]-2-oxidanylidene-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | 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 | InChI | 1.06 | IAJSNMSZNKJHRX-QFQXNISHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSCCC(=N)[C@]1(O)NC(=O)CN1C(=O)C(N)=O |
| SMILES | CACTVS | 3.385 | CSCCC(=N)[C]1(O)NC(=O)CN1C(=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [H]/N=C(/CCSC)\[C@@]1(NC(=O)CN1C(=O)C(=O)N)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CSCCC(=N)C1(NC(=O)CN1C(=O)C(=O)N)O |
