(2R)-2-{[(2R,3S,4R,5R,6S)-3-{[(2S,3R,4R,5S,6R)-5-{[(2S,4aR,5S,7R,8S,8aR)-8-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-(hydroxymethyl)-2-methyl-3-oxo-hexahydro-2H-pyrano[4,3-b]morpholin-5-yl]oxy}-3-acetamido-4-hydroxy-6-
AlkaPlorer ID: AK218374
Synonym: None
IUPAC Name: (2R)-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[[(2S,4aR,5S,7R,8S,8aR)-8-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-(hydroxymethyl)-2-methyl-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[4,3-b][1,4]oxazin-5-yl]oxy]-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-acetamido-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
Structure
SMILES: CC(O)=N[C@@H]1[C@@H](O[C@H](C)C(=O)O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N=C(C)O)[C@@H]4O[C@@H](C)C(O)=N[C@@H]34)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@@H]1O
InChI: InChI=1S/C36H58N4O23/c1-10-31(51)40-22-30(55-10)28(63-34-19(37-12(3)45)24(49)23(48)15(6-41)58-34)18(9-44)60-36(22)61-26-16(7-42)59-35(20(25(26)50)38-13(4)46)62-27-17(8-43)57-33(54)21(39-14(5)47)29(27)56-11(2)32(52)53/h10-11,15-30,33-36,41-44,48-50,54H,6-9H2,1-5H3,(H,37,45)(H,38,46)(H,39,47)(H,40,51)(H,52,53)/t10-,11+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,33-,34-,35-,36-/m0/s1
InChIKey: LAIFWORZQDLMKX-KPPOZESFSA-N
Source
Properties Information
Molecule Weight: 914.8650000000004
TPSA？: 412.5700000000001
MolLogP？: -4.908499999999993
Number of H-Donors: 13
Number of H-Acceptors: 22
RingCount: 5
Activities Information
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