(Q104168314)

English

CID 16162500

group of stereoisomers with the chemical formula C₅₈H₄₄Cl₃N₇O₂₁S

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Statements

group of stereoisomers

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chemical compound

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1,313.4314 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₅₈H₄₄Cl₃N₇O₂₁S

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canonical SMILES

NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2OS(=O)(=O)O)c1cc(Cl)c(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O

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Identifiers

InChI=1S/C58H44Cl3N7O21S/c59-31-7-20-1-4-36(31)87-40-15-25-16-41(51(40)74)88-37-5-3-22(12-32(37)60)49(72)48-57(80)67-47(58(81)82)29-18-27(70)19-35(71)42(29)30-11-24(13-33(61)50(30)73)45(56(79)68-48)65-55(78)46(25)66-54(77)44-23-9-26(69)17-28(10-23)86-39-14-21(2-6-38(39)89-90(83,84)85)43(62)53(76)63-34(8-20)52(75)64-44/h1-7,9-19,34,43-49,69-74H,8,62H2,(H,63,76)(H,64,75)(H,65,78)(H,66,77)(H,67,80)(H,68,79)(H,81,82)(H,83,84,85)

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HRGFAEUWEMDRRZ-UHFFFAOYSA-N

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1 reference

15 September 2022

1 reference

15 September 2022

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