(Q82900254)

English

2-({1-Hydroxy-2-[(1-hydroxyethylidene)amino]-4-methylpentylidene}amino)-N~1~-[3-hydroxy-4-(2-{hydroxy[(1-methoxy-3-methyl-1-oxopentan-2-yl)imino]methyl}pyrrolidin-1-yl)-1-phenylbutan-2-yl]butanediimid ic acid

group of stereoisomers with the chemical formula C₃₄H₅₄N₆O₈

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

674.4003126880001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₄N₆O₈

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based on heuristic

inferred from SMILES

canonical SMILES

CCC(C)C(N=C(O)C1CCCN1CC(O)C(Cc1ccccc1)N=C(O)C(CC(=N)O)N=C(O)C(CC(C)C)N=C(C)O)C(=O)OC

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)OC

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C34H54N6O8/c1-7-21(4)30(34(47)48-6)39-33(46)27-14-11-15-40(27)19-28(42)24(17-23-12-9-8-10-13-23)37-32(45)26(18-29(35)43)38-31(44)25(16-20(2)3)36-22(5)41/h8-10,12-13,20-21,24-28,30,42H,7,11,14-19H2,1-6H3,(H2,35,43)(H,36,41)(H,37,45)(H,38,44)(H,39,46)/t21-,24-,25-,26-,27-,28?,30-/m0/s1

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InChIKey

MRGMYFNMOQANPK-KCILXPHISA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID801354650

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(Q82900254)

2-({1-Hydroxy-2-[(1-hydroxyethylidene)amino]-4-methylpentylidene}amino)-N~1~-[3-hydroxy-4-(2-{hydroxy[(1-methoxy-3-methyl-1-oxopentan-2-yl)imino]methyl}pyrrolidin-1-yl)-1-phenylbutan-2-yl]butanediimid ic acid

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Identifiers

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