Obsolete: MU2
Summary
| Name: | N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINE |
| Formula: | C19 H32 N4 O11 |
| Formal charge: | 0 |
| Formula weight: | 492.478 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-{[(2S)-2-{[(2R)-2-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-5-amino-5-oxopentanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-[[(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxo-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)C(NC(=O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C)C)CCC(=O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(N)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](NC(=O)[CH](C)O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1NC(C)=O)C(=O)N[CH](CCC(N)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C(=O)N[C@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C19H32N4O11/c1-7(16(28)23-10(18(30)31)4-5-12(20)26)21-17(29)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)27/h7-8,10-11,13-15,19,24,27,32H,4-6H2,1-3H3,(H2,20,26)(H,21,29)(H,22,25)(H,23,28)(H,30,31)/t7-,8+,10+,11+,13+,14+,15+,19-/m0/s1 |
| InChIKey | InChI | 1.03 | SNTUQIQTAZQYIG-PUFOHHGRSA-N |
