G6V
Summary
| Name: | 2,2-dichloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide |
| Synonyms: | oxazolidinone antibiotic LZD-5 |
| Formula: | C16 H18 Cl2 F N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 406.236 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,2-dichloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide |
| OpenEye OEToolkits | 2.0.6 | 2,2-bis(chloranyl)-~{N}-[[(5~{S})-3-(3-fluoranyl-4-morpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(N1CC(CNC(=O)C(Cl)Cl)OC1=O)cc(c(cc2)N3CCOCC3)F |
| InChI | InChI | 1.03 | InChI=1S/C16H18Cl2FN3O4/c17-14(18)15(23)20-8-11-9-22(16(24)26-11)10-1-2-13(12(19)7-10)21-3-5-25-6-4-21/h1-2,7,11,14H,3-6,8-9H2,(H,20,23)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | YEXPTKNKQPHGOQ-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(ccc1N2CCOCC2)N3C[C@H](CNC(=O)C(Cl)Cl)OC3=O |
| SMILES | CACTVS | 3.385 | Fc1cc(ccc1N2CCOCC2)N3C[CH](CNC(=O)C(Cl)Cl)OC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1N2C[C@@H](OC2=O)CNC(=O)C(Cl)Cl)F)N3CCOCC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1N2CC(OC2=O)CNC(=O)C(Cl)Cl)F)N3CCOCC3 |
