SLM
(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
Created: | 2010-11-04 |
Last modified: | 2020-07-17 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 41 |
Chiral Atom Count | 6 |
Bond Count | 41 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide |
Synonyms | SIALYLAMIDE |
Systematic Name (OpenEye OEToolkits) | (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide |
Formula | C11 H20 N2 O8 |
Molecular Weight | 308.285 |
Type | D-SACCHARIDE, BETA LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1 |
SMILES | CACTVS | 3.352 | CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(N)=O |
SMILES | OpenEye OEToolkits | 1.6.1 | CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)N)O)O |
Canonical SMILES | CACTVS | 3.352 | CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(N)=O |
Canonical SMILES | OpenEye OEToolkits | 1.6.1 | CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)N)O)O |
InChI | InChI | 1.03 | InChI=1S/C11H20N2O8/c1-4(15)13-7-5(16)2-11(20,10(12)19)21-9(7)8(18)6(17)3-14/h5-9,14,16-18,20H,2-3H2,1H3,(H2,12,19)(H,13,15)/t5-,6+,7+,8+,9+,11-/m0/s1 |
InChIKey | InChI | 1.03 | PKSULYZGXFBQIQ-PFQGKNLYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 53239785 |
ChEBI | CHEBI:62289 |