SLA
Summary
| Name: | Omuralide, open form |
| Synonyms: | (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde |
| Formula: | C10 H17 N O4 |
| Formal charge: | 0 |
| Formula weight: | 215.246 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde |
| OpenEye OEToolkits | 1.7.6 | (2R,3S,4R)-4-methyl-2-[(1S)-2-methyl-1-oxidanyl-propyl]-3-oxidanyl-5-oxidanylidene-pyrrolidine-2-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CC1(NC(=O)C(C1O)C)C(O)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H17NO4/c1-5(2)7(13)10(4-12)8(14)6(3)9(15)11-10/h4-8,13-14H,1-3H3,(H,11,15)/t6-,7+,8+,10-/m1/s1 |
| InChIKey | InChI | 1.03 | NREVXJAQSWMFJZ-CHIQAWFVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1[C@@H]([C@@](NC1=O)(C=O)[C@H](C(C)C)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(C(NC1=O)(C=O)C(C(C)C)O)O |
