(Q82231289)

English

AC1NUR3I

group of stereoisomers with the chemical formula C₅₇H₁₀₃N₁₁O₁₁

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Statements

group of stereoisomers

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chemical compound

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1,117.783853116 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₅₇H₁₀₃N₁₁O₁₁

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canonical SMILES

CCC(C)C=CC(=O)N1CC(C)CC1C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CN(C)C)C(O)C(C)C

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isomeric SMILES

CC[C@@H](C)/C=C/C(=O)N1C[C@@H](C)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NC(C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CN(C)C)[C@H](O)C(C)C

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Purpureocillium lilacinum

1 reference

Identification and structure assignment of components of leucinostatin and CC-1014 by directly coupled liquid chromatography/fast atom bombardment mass spectrometry

Identifiers

InChI=1S/C57H103N11O11/c1-21-36(10)22-23-44(70)68-30-37(11)29-42(68)50(75)61-39(26-32(2)3)48(73)63-45(46(71)35(8)9)51(76)65-56(15,16)53(78)62-40(27-33(4)5)47(72)60-41(28-34(6)7)49(74)64-57(17,18)54(79)66-55(13,14)52(77)58-25-24-43(69)59-38(12)31-67(19)20/h22-23,32-42,45-46,71H,21,24-31H2,1-20H3,(H,58,77)(H,59,69)(H,60,72)(H,61,75)(H,62,78)(H,63,73)(H,64,74)(H,65,76)(H,66,79)/b23-22+/t36-,37+,38+,39+,40?,41+,42+,45?,46-/m1/s1

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DKUCXVPLIVXVFM-HNUJDZJCSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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