(Q82947348)

English

[6-Amino-1-(methanesulfonyl)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate

group of stereoisomers with the chemical formula C₁₆H₂₀N₄O₇S

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

412.10526998 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₀N₄O₇S

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based on heuristic

inferred from SMILES

canonical SMILES

COC12C(COC(=N)O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1C2N1S(C)(=O)=O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CO[C@]12C3C(CN1C1=C(C(=O)C(N)=C(C)C1=O)[C@H]2COC(N)=O)N3S(C)(=O)=O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C16H20N4O7S/c1-6-10(17)13(22)9-7(5-27-15(18)23)16(26-2)14-8(20(14)28(3,24)25)4-19(16)11(9)12(6)21/h7-8,14H,4-5,17H2,1-3H3,(H2,18,23)/t7-,8?,14?,16-,20?/m1/s1

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InChIKey

MYXRRXIOADSTIW-IVPXTRFFSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID201392850

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(Q82947348)

[6-Amino-1-(methanesulfonyl)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate

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