621
Summary
| Name: | N-acetylglycyl-N-[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-L-serinamide |
| Formula: | C14 H25 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 331.365 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-acetylglycyl-N-[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-L-serinamide |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-(2-acetamidoethanoylamino)-3-hydroxy-N-[(3S)-1-hydroxy-5-methyl-2-oxo-hexan-3-yl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)CO)CC(C)C)C(NC(=O)CNC(=O)C)CO |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)CO |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](NC(=O)[CH](CO)NC(=O)CNC(C)=O)C(=O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)C[C@@H](C(=O)CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(C(=O)CO)NC(=O)C(CO)NC(=O)CNC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C14H25N3O6/c1-8(2)4-10(12(21)7-19)17-14(23)11(6-18)16-13(22)5-15-9(3)20/h8,10-11,18-19H,4-7H2,1-3H3,(H,15,20)(H,16,22)(H,17,23)/t10-,11-/m0/s1 |
| InChIKey | InChI | 1.03 | XARLKHLSACMNTN-QWRGUYRKSA-N |
