MDP
Summary
| Name: | N-carboxyl-N-methyl-beta-muramic acid |
| Synonyms: | N-CARBOXY-N-METHYL-MURAMIC ACID |
| Formula: | C11 H19 N O9 |
| Formal charge: | 0 |
| Formula weight: | 309.27 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 3-O-[(1R)-1-carboxyethyl]-2-[carboxy(methyl)amino]-2-deoxy-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.6.1 | (2R)-2-[(2R,3R,4R,5S,6R)-3-[carboxy(methyl)amino]-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)C(OC1C(O)C(OC(O)C1N(C(=O)O)C)CO)C |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1N(C)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.352 | C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1N(C)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N(C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(=O)O)OC1C(C(OC(C1O)CO)O)N(C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H19NO9/c1-4(9(15)16)20-8-6(12(2)11(18)19)10(17)21-5(3-13)7(8)14/h4-8,10,13-14,17H,3H2,1-2H3,(H,15,16)(H,18,19)/t4-,5-,6-,7-,8-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | PVOFHMJNZUCTDT-MXGCPANSSA-N |
