(Q82900257)

English

2-({1-Hydroxy-2-[(1-hydroxyethylidene)amino]-4-methylpentylidene}amino)-N~1~-[2-hydroxy-1-(2-{hydroxy[(1-methoxy-3-methyl-1-oxopentan-2-yl)imino]methyl}pyrrolidin-1-yl)-5-methylhexan-3-yl]butanediimid ic acid

group of stereoisomers with the chemical formula C₃₁H₅₆N₆O₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

640.415962752 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₆N₆O₈

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based on heuristic

inferred from SMILES

canonical SMILES

CCC(C)C(N=C(O)C1CCCN1CC(O)C(CC(C)C)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](CC(C)C)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/C31H56N6O8/c1-9-19(6)27(31(44)45-8)36-30(43)24-11-10-12-37(24)16-25(39)21(13-17(2)3)34-29(42)23(15-26(32)40)35-28(41)22(14-18(4)5)33-20(7)38/h17-19,21-25,27,39H,9-16H2,1-8H3,(H2,32,40)(H,33,38)(H,34,42)(H,35,41)(H,36,43)/t19-,21-,22-,23-,24-,25?,27-/m0/s1

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InChIKey

IEPNUSNRWKGSSK-TURJTIEBSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID201354652

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(Q82900257)

2-({1-Hydroxy-2-[(1-hydroxyethylidene)amino]-4-methylpentylidene}amino)-N~1~-[2-hydroxy-1-(2-{hydroxy[(1-methoxy-3-methyl-1-oxopentan-2-yl)imino]methyl}pyrrolidin-1-yl)-5-methylhexan-3-yl]butanediimid ic acid

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Identifiers

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