GPT
Summary
| Name: | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde |
| Formula: | C15 H22 F N O4 |
| Formal charge: | 0 |
| Formula weight: | 299.338 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde |
| OpenEye OEToolkits | 1.5.0 | (2R,3S,4R)-2-[(S)-[(1S)-1-cyclohex-2-enyl]-hydroxy-methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxo-pyrrolidine-2-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CC1(NC(=O)C(C1(O)C)CCF)C(O)C2C=CCCC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@]1(O)[C@@H](CCF)C(=O)N[C@]1(C=O)[C@@H](O)[C@H]2CCCC=C2 |
| SMILES | CACTVS | 3.341 | C[C]1(O)[CH](CCF)C(=O)N[C]1(C=O)[CH](O)[CH]2CCCC=C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCF)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(C(C(=O)NC1(C=O)C(C2CCCC=C2)O)CCF)O |
| InChI | InChI | 1.03 | InChI=1S/C15H22FNO4/c1-14(21)11(7-8-16)13(20)17-15(14,9-18)12(19)10-5-3-2-4-6-10/h3,5,9-12,19,21H,2,4,6-8H2,1H3,(H,17,20)/t10-,11+,12+,14+,15-/m1/s1 |
| InChIKey | InChI | 1.03 | XVSPEIROBXUXKM-FUQNVFFISA-N |
