(Q82124382)

English

AC1LD8M8

group of stereoisomers with the chemical formula C₃₂H₅₁N₉O₈

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

689.3860595920002 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₁N₉O₈

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based on heuristic

inferred from SMILES

canonical SMILES

CCCC(N=C(O)C1C2CCCC2CN1C(=O)C(N=C(O)C(N=C(O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)NCC(=O)O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCC(NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)NCC(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C32H51N9O8/c1-6-10-21(28(45)31(48)33-15-24(43)44)34-30(47)27-20-12-9-11-19(20)16-41(27)32(49)26(18(4)5)36-29(46)25(17(2)3)35-23(42)14-8-7-13-22-37-39-40-38-22/h17-21,25-27H,6-16H2,1-5H3,(H,33,48)(H,34,47)(H,35,42)(H,36,46)(H,43,44)(H,37,38,39,40)/t19-,20-,21?,25-,26-,27-/m0/s1

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InChIKey

LPFSBKQQHSXLLJ-SSTHCQSCSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID80300358

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(Q82124382)

AC1LD8M8

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