(Q83004718)

English

Nonyl 6-amino-8-{[hydroxy(imino)methoxy]methyl}-8a-methoxy-5-methyl-4,7-dioxo-1a,4,7,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indole-1(2H)-carboxylate

group of stereoisomers with the chemical formula C₂₅H₃₆N₄O₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

504.2583994919999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₆N₄O₇

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based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCOC(=O)N1C2CN3C4=C(C(=O)C(N)=C(C)C4=O)C(COC(=N)O)C3(OC)C21

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCOC(=O)N1[C@H]2[C@@H]1CN1C3=C(C(=O)C(N)=C(C)C3=O)[C@@H](COC(N)=O)[C@@]21OC

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C25H36N4O7/c1-4-5-6-7-8-9-10-11-35-24(33)29-16-12-28-19-17(21(31)18(26)14(2)20(19)30)15(13-36-23(27)32)25(28,34-3)22(16)29/h15-16,22H,4-13,26H2,1-3H3,(H2,27,32)/t15-,16+,22+,25-,29?/m1/s1

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InChIKey

BUBBYOVVXCWZFU-LWVBKWMLSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID101435142

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(Q83004718)

Nonyl 6-amino-8-{[hydroxy(imino)methoxy]methyl}-8a-methoxy-5-methyl-4,7-dioxo-1a,4,7,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indole-1(2H)-carboxylate

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Identifiers

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