(Q104986864)

English

26,37-dimethyl (10E,24E)-10,24-diethylidene-5-methyl-19-oxa-5,12,22,27-tetraazaundecacyclo[20.11.2.1⁹,¹⁵.1²¹,²⁵.0¹,²⁰.0²,¹⁸.0⁴,¹⁶.0⁶,¹⁵.0⁷,¹².0²⁰,²⁷.0²⁸,³³]heptatriaconta-2,4(16),17,28,30,32-hexaene-26,37-dicarboxylate

group of stereoisomers with the chemical formula C₄₁H₄₆N₄O₅

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instance of

group of stereoisomers

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674.3468205720002 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₁H₄₆N₄O₅

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canonical SMILES

O=C(OC)C1N2C=3C=CC=CC3C45C=6C=C7C(=CC6OC25C8N(CC(=CC)C1C8)CC4)C9%10CCN%11CC(=CC)C(CC%11C9N7C)C%10C(=O)OC

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isomeric SMILES

C/C=C1/CN2CCC34c5cc6c(cc5OC35C2CC1C(C(=O)OC)N5c1ccccc14)C12CCN3C/C(=C/C)C(CC3C1N6C)C2C(=O)OC

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C41H46N4O5/c1-6-22-20-43-14-12-39-27-19-32-28(18-30(27)42(3)36(39)31(43)16-24(22)34(39)37(46)48-4)40-13-15-44-21-23(7-2)25-17-33(44)41(40,50-32)45(35(25)38(47)49-5)29-11-9-8-10-26(29)40/h6-11,18-19,24-25,31,33-36H,12-17,20-21H2,1-5H3/b22-6-,23-7-

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InChIKey

DQCQZSHDSKTQMX-WGIBKUGSSA-N

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(Q104986864)

26,37-dimethyl (10E,24E)-10,24-diethylidene-5-methyl-19-oxa-5,12,22,27-tetraazaundecacyclo[20.11.2.1⁹,¹⁵.1²¹,²⁵.0¹,²⁰.0²,¹⁸.0⁴,¹⁶.0⁶,¹⁵.0⁷,¹².0²⁰,²⁷.0²⁸,³³]heptatriaconta-2,4(16),17,28,30,32-hexaene-26,37-dicarboxylate

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