6B7
Summary
| Name: | (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-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 | 2.0.5 | (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H23NO6S/c1-4-5-22-11(19)7-23-14-8(2)12(10(6-17)9(3)18)16-13(14)15(20)21/h6,8-10,13-14,18H,4-5,7H2,1-3H3,(H,20,21)/t8-,9-,10-,13+,14-/m1/s1 |
| InChIKey | InChI | 1.03 | ZOZKWSICEOZYLE-FDACTJFASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCOC(=O)CS[C@@H]1[C@H](C)C(=N[C@@H]1C(O)=O)[C@H](C=O)[C@@H](C)O |
| SMILES | CACTVS | 3.385 | CCCOC(=O)CS[CH]1[CH](C)C(=N[CH]1C(O)=O)[CH](C=O)[CH](C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCCOC(=O)CS[C@@H]1[C@@H](C(=N[C@@H]1C(=O)O)[C@H](C=O)[C@@H](C)O)C |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCCOC(=O)CSC1C(C(=NC1C(=O)O)C(C=O)C(C)O)C |
