(Q104201688)

English

2-acetamido-3-(7-methoxy-2-methylidene-3-oxo-4H-1,4-benzoxazine-5-carbonyl)sulfanylpropanoic acid

group of stereoisomers with the chemical formula C₁₆H₁₆N₂O₇S

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Statements

group of stereoisomers

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benzoxazine alkaloid

1 reference

benzoxazine alkaloid

380.06782185199984 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₁₆N₂O₇S

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canonical SMILES

C=C1Oc2cc(OC)cc(C(=O)SCC(NC(C)=O)C(=O)O)c2NC1=O

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Identifiers

InChI=1S/C16H16N2O7S/c1-7-14(20)18-13-10(4-9(24-3)5-12(13)25-7)16(23)26-6-11(15(21)22)17-8(2)19/h4-5,11H,1,6H2,2-3H3,(H,17,19)(H,18,20)(H,21,22)

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YGSOEFLROPFWTN-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

YGSOEFLROPFWTN-UHFFFAOYSA-N

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