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Benzyl 4-O-(2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)-2-deoxy-3,4,6-Tri-O-acetyl-β-D-glucopyranosl)-N-acetyl-α-D-muramic Acid Methyl Ester , CAS No.112289-92-6
Basic Description
| Synonyms | DTXSID30747097 | (2R,3S,4R,5R,6S)-6-(((2R,3S,4R,5R,6S)-5-Acetamido-6-(benzyloxy)-2-((benzyloxy)methyl)-4-(((R)-1-methoxy-1-oxopropan-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-2-(acetoxymethyl)-5-(1,3-dioxoisoindolin-2-yl)tetrahydro-2H-pyran-3,4-diyl diacetat |
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| Shipped In | Normal |
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Names and Identifiers
| IUPAC Name | methyl (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxypropanoate |
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| INCHI | InChI=1S/C46H52N2O17/c1-25(44(55)56-6)60-40-36(47-26(2)49)45(59-22-31-17-11-8-12-18-31)63-34(23-57-21-30-15-9-7-10-16-30)38(40)65-46-37(48-42(53)32-19-13-14-20-33(32)43(48)54)41(62-29(5)52)39(61-28(4)51)35(64-46)24-58-27(3)50/h7-20,25,34-41,45-46H,21-24H2,1-6H3,(H,47,49)/t25-,34-,35-,36-,37-,38-,39-,40-,41-,45+,46+/m1/s1 |
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| InChi Key | QCGGVNRUSHJPPG-SQKSGBELSA-N |
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| Canonical SMILES | CC(C(=O)OC)OC1C(C(OC(C1OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)N3C(=O)C4=CC=CC=C4C3=O)COCC5=CC=CC=C5)OCC6=CC=CC=C6)NC(=O)C |
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| Isomeric SMILES | C[C@H](C(=O)OC)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)N3C(=O)C4=CC=CC=C4C3=O)COCC5=CC=CC=C5)OCC6=CC=CC=C6)NC(=O)C |
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| PubChem CID | 71313752 |
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| Molecular Weight | 904.91 |
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