SA1
Summary
| Name: | (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE |
| Synonyms: | Salinosporamide A, bound form |
| Formula: | C15 H21 N O4 |
| Formal charge: | 0 |
| Formula weight: | 279.332 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3aR,6R,6aS)-6-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-6a-methyl-4-oxohexahydro-2H-furo[2,3-c]pyrrole-6-carbaldehyde |
| OpenEye OEToolkits | 1.5.0 | (3aR,6R,6aS)-6-[(S)-[(1S)-1-cyclohex-2-enyl]-hydroxy-methyl]-6a-methyl-4-oxo-2,3,3a,5-tetrahydrofuro[2,3-c]pyrrole-6-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(C=O)(C2(OCCC12)C)C(O)C3C=CCCC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@]12OCC[C@H]1C(=O)N[C@]2(C=O)[C@@H](O)[C@H]3CCCC=C3 |
| SMILES | CACTVS | 3.341 | C[C]12OCC[CH]1C(=O)N[C]2(C=O)[CH](O)[CH]3CCCC=C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@]12[C@@H](CCO1)C(=O)N[C@]2(C=O)[C@H]([C@H]3CCCC=C3)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC12C(CCO1)C(=O)NC2(C=O)C(C3CCCC=C3)O |
| InChI | InChI | 1.03 | InChI=1S/C15H21NO4/c1-14-11(7-8-20-14)13(19)16-15(14,9-17)12(18)10-5-3-2-4-6-10/h3,5,9-12,18H,2,4,6-8H2,1H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1 |
| InChIKey | InChI | 1.03 | YVABESCRHMBHJD-FUQNVFFISA-N |
