(Q82942248)

English

(6-Amino-8a-methoxy-5-methyl-4,7-dioxo-1-propanoyl-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 C₁₈H₂₂N₄O₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

390.15393442399994 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₂N₄O₆

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based on heuristic

inferred from SMILES

canonical SMILES

CCC(=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

CCC(=O)N1C2CN3C4=C(C(=O)C(N)=C(C)C4=O)[C@@H](COC(N)=O)C3(OC)C21

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C18H22N4O6/c1-4-10(23)22-9-5-21-13-11(15(25)12(19)7(2)14(13)24)8(6-28-17(20)26)18(21,27-3)16(9)22/h8-9,16H,4-6,19H2,1-3H3,(H2,20,26)/t8-,9?,16?,18?,22?/m1/s1

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InChIKey

UDEPOUWGBNLWFW-WHGZLADTSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID001388801

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(Q82942248)

(6-Amino-8a-methoxy-5-methyl-4,7-dioxo-1-propanoyl-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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Identifiers

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