MS8
Summary
| Name: | (2R,3aR,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid |
| Formula: | C11 H17 N O6 |
| Formal charge: | 0 |
| Formula weight: | 259.256 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,3aR,7aR)-2-[(2S)-2-amino-2-carboxyethyl]hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (2R,3aR,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-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(OCCC1)C2)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](C[C@@]1(C[C@H]2OCCC[C@H]2O1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](C[C]1(C[CH]2OCCC[CH]2O1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C[C@@H]2[C@@H](C[C@](O2)(C[C@@H](C(=O)O)N)C(=O)O)OC1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC2C(CC(O2)(CC(C(=O)O)N)C(=O)O)OC1 |
| InChI | InChI | 1.03 | InChI=1S/C11H17NO6/c12-6(9(13)14)4-11(10(15)16)5-8-7(18-11)2-1-3-17-8/h6-8H,1-5,12H2,(H,13,14)(H,15,16)/t6-,7+,8+,11+/m0/s1 |
| InChIKey | InChI | 1.03 | RZIYCCQNKHONBB-PRKAOEEVSA-N |
