Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L56IUD
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| Ligand Name |
[1-[(2S,3S,4R,5S,6R)-2-[(1S,2S,4S,5S)-2-(2-chloroethoxy)-4,5-bis[[4-(hydroxymethyl)phenyl]methylcarbamoyl]cyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]triazol-4-yl]methylazanium
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| Synonyms |
[1-[(2~{S},3~{S},4~{R},5~{S},6~{R})-2-[(1~{S},2~{S},4~{S},5~{S})-2-(2-chloroethyloxy)-4,5-bis[[4-(hydroxymethyl)phenyl]methylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methylazanium
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| Structure |
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Download2D MOL
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| Formula |
C35H48ClN6O10+
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| Canonical SMILES |
C1C(C(CC(C1OCCCl)OC2C(C(C(C(O2)CO)O)O)N3C=C(N=N3)C[NH3+])C(=O)NCC4=CC=C(C=C4)CO)C(=O)NCC5=CC=C(C=C5)CO
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| InChI |
1S/C35H47ClN6O10/c36-9-10-50-27-11-25(33(48)38-14-20-1-5-22(17-43)6-2-20)26(34(49)39-15-21-3-7-23(18-44)8-4-21)12-28(27)51-35-30(42-16-24(13-37)40-41-42)32(47)31(46)29(19-45)52-35/h1-8,16,25-32,35,43-47H,9-15,17-19,37H2,(H,38,48)(H,39,49)/p+1/t25-,26-,27-,28-,29+,30-,31+,32+,35-/m0/s1
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| InChIKey |
BYGZQFCUFRSCML-RWSQSUCKSA-O
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| PubChem Compound ID | ||||
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