A1JLX
Summary
| Name: | (2~{R},5~{R},6~{S})-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Formula: | C19 H19 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 401.436 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},5~{R},6~{S})-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17+/m0/s1 |
| InChIKey | InChI | 1.06 | UWYHMGVUTGAWSP-JJRVBVJISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(c2ccccc2)c1C(=O)N[C@@H]3[C@H]4SC(C)(C)[C@H](N4C3=O)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1onc(c2ccccc2)c1C(=O)N[CH]3[CH]4SC(C)(C)[CH](N4C3=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(no1)c2ccccc2)C(=O)N[C@@H]3[C@@H]4N(C3=O)[C@@H](C(S4)(C)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(no1)c2ccccc2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O |
