56X
Summary
| Name: | (4R,5S,6S)-6-((R)-1-hydroxyethyl)-3-((2-isopropoxy-2-oxoethyl)thio)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
| Formula: | C15 H21 N O6 S |
| Formal charge: | 0 |
| Formula weight: | 343.395 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R},5~{S},6~{S})-4-methyl-6-[(1~{R})-1-oxidanylethyl]-7-oxidanylidene-3-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H21NO6S/c1-6(2)22-9(18)5-23-13-7(3)11-10(8(4)17)14(19)16(11)12(13)15(20)21/h6-8,10-11,17H,5H2,1-4H3,(H,20,21)/t7-,8-,10-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | ZNVHAIJDJMRLJY-YJFSRANCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)OC(=O)CSC1=C(N2[C@H]([C@H]1C)[C@@H]([C@@H](C)O)C2=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)OC(=O)CSC1=C(N2[CH]([CH]1C)[CH]([CH](C)O)C2=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SCC(=O)OC(C)C)C(=O)O)[C@@H](C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C2C(C(=O)N2C(=C1SCC(=O)OC(C)C)C(=O)O)C(C)O |
