AYC
Summary
| Name: | ALAREMYCIN 2 |
| Synonyms: | (5R)-5-ACETAMIDO-4-OXO-HEXANOIC ACID |
| Formula: | C8 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 187.193 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5R)-5-(acetylamino)-4-oxohexanoic acid |
| OpenEye OEToolkits | 1.6.1 | (5R)-5-acetamido-4-oxo-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C(NC(=O)C)C)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@@H](NC(C)=O)C(=O)CCC(O)=O |
| SMILES | CACTVS | 3.352 | C[CH](NC(C)=O)C(=O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C[C@H](C(=O)CCC(=O)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(C(=O)CCC(=O)O)NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO4/c1-5(9-6(2)10)7(11)3-4-8(12)13/h5H,3-4H2,1-2H3,(H,9,10)(H,12,13)/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | QSRUAKBTZTXXLM-RXMQYKEDSA-N |
