HTV

1-O-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid


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Chemical Component Summary

Name1-O-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid
Identifiers(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[[6-chloranyl-5-[4-(1-oxidanylcyclobutyl)phenyl]-1~{H}-indol-3-yl]carbonyloxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
FormulaC25 H24 Cl N O9
Molecular Weight517.912
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1c2cc3c(cc2Cl)[nH]cc3C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C5(CCC5)O
InChIInChI=1S/C25H24ClNO9/c26-16-9-17-14(8-13(16)11-2-4-12(5-3-11)25(34)6-1-7-25)15(10-27-17)23(33)36-24-20(30)18(28)19(29)21(35-24)22(31)32/h2-5,8-10,18-21,24,27-30,34H,1,6-7H2,(H,31,32)/t18-,19-,20+,21-,24-/m0/s1
InChIKeyLTLTUJCGZGVBTO-DCIKREJASA-N

Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count5
Bond Count64
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 121396411
ChEMBL CHEMBL4249790