SA6
Summary
| Name: | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde |
| Formula: | C15 H23 N O4 |
| Formal charge: | 0 |
| Formula weight: | 281.347 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde |
| OpenEye OEToolkits | 1.7.0 | (2R,3S,4R)-2-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxy-methyl]-4-ethyl-3-hydroxy-3-methyl-5-oxo-pyrrolidine-2-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CC1(NC(=O)C(C1(O)C)CC)C(O)C2C=CCCC2 |
| SMILES_CANONICAL | CACTVS | 3.370 | CC[C@H]1C(=O)N[C@](C=O)([C@@H](O)[C@H]2CCCC=C2)[C@@]1(C)O |
| SMILES | CACTVS | 3.370 | CC[CH]1C(=O)N[C](C=O)([CH](O)[CH]2CCCC=C2)[C]1(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC[C@H]1C(=O)N[C@]([C@@]1(C)O)(C=O)[C@H]([C@H]2CCCC=C2)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCC1C(=O)NC(C1(C)O)(C=O)C(C2CCCC=C2)O |
| InChI | InChI | 1.03 | InChI=1S/C15H23NO4/c1-3-11-13(19)16-15(9-17,14(11,2)20)12(18)10-7-5-4-6-8-10/h5,7,9-12,18,20H,3-4,6,8H2,1-2H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1 |
| InChIKey | InChI | 1.03 | HSXZBJZQFUJQNN-FUQNVFFISA-N |
