(Q104194934)

English

PKHJDBCKUHACEM-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₉₀H₁₄₆N₂₂O₂₆

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Statements

group of stereoisomers

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chemical compound

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1,952.2576 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₉₀H₁₄₆N₂₂O₂₆

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canonical SMILES

CC(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C(=O)NC(C)(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O)C(C)C)C(C)C

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Identifiers

InChI=1S/C90H146N22O26/c1-44(2)41-55(70(125)108-90(25,26)82(138)112-40-30-33-57(112)71(126)102-62(45(3)4)72(127)110-89(23,24)81(137)111-88(21,22)79(135)101-53(36-39-61(117)118)68(123)99-52(34-37-58(91)114)67(122)100-56(74(129)130)42-51-31-28-27-29-32-51)97-60(116)43-93-75(131)83(11,12)109-73(128)63(46(5)6)103-80(136)87(19,20)107-69(124)54(35-38-59(92)115)98-64(119)47(7)94-77(133)85(15,16)105-66(121)49(9)96-78(134)86(17,18)106-65(120)48(8)95-76(132)84(13,14)104-50(10)113/h27-29,31-32,44-49,52-57,62-63H,30,33-43H2,1-26H3,(H2,91,114)(H2,92,115)(H,93,131)(H,94,133)(H,95,132)(H,96,134)(H,97,116)(H,98,119)(H,99,123)(H,100,122)(H,101,135)(H,102,126)(H,103,136)(H,104,113)(H,105,121)(H,106,120)(H,107,124)(H,108,125)(H,109,128)(H,110,127)(H,111,137)(H,117,118)(H,129,130)

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PKHJDBCKUHACEM-UHFFFAOYSA-N

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1 reference

15 September 2022

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15 September 2022

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