DYH
Summary
| Name: | (2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid |
| Formula: | C12 H20 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 304.296 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-6-hydroxy-7-methylamino-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CC2(OC1C(OCC(O)C1NC)C2)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CN[C@@H]1[C@H](O)CO[C@@H]2C[C@@](C[C@H](N)C(O)=O)(O[C@H]12)C(O)=O |
| SMILES | CACTVS | 3.341 | CN[CH]1[CH](O)CO[CH]2C[C](C[CH](N)C(O)=O)(O[CH]12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN[C@@H]1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNC1C(COC2C1OC(C2)(CC(C(=O)O)N)C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1 |
| InChIKey | InChI | 1.03 | YUSZFKPLFIQTGF-FDNSHYBFSA-N |
