59I
Summary
| Name: | (2R,3R)-3-methyl-4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-2-[(2R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1H-pyrrole-5-carboxylic acid |
| Formula: | C15 H23 N O6 S |
| Formal charge: | 0 |
| Formula weight: | 345.411 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R})-3-methyl-4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-2-[(2~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H23NO6S/c1-7(2)22-11(19)6-23-14-8(3)12(10(5-17)9(4)18)16-13(14)15(20)21/h5,7-10,12,16,18H,6H2,1-4H3,(H,20,21)/t8-,9?,10?,12+/m1/s1 |
| InChIKey | InChI | 1.03 | BCFABNCZHGBALS-QARRAHMOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)OC(=O)CSC1=C(N[C@@H]([C@H]1C)[C@@H](C=O)C(C)O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)OC(=O)CSC1=C(N[CH]([CH]1C)[CH](C=O)C(C)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1[C@H](NC(=C1SCC(=O)OC(C)C)C(=O)O)[C@@H](C=O)C(C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(NC(=C1SCC(=O)OC(C)C)C(=O)O)C(C=O)C(C)O |
