(Q105282408)

English

(1S,2R,4S,9S,10R)-3-hydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 1H-pyrrole-2-carboxylate

group of stereoisomers with the chemical formula C₂₀H₂₇N₃O₄

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Statements

group of stereoisomers

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quinolizidine alkaloid

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quinolizidine alkaloid

pyrrole alkaloid

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pyrrole alkaloid

373.20015634400005 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₀H₂₇N₃O₄

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canonical SMILES

O=C(OC1CCN2CC3CC(CN4C(=O)CCCC43)C2C1O)C5=CC=CN5

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isomeric SMILES

O=C(O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1O)c1ccc[nH]1

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Identifiers

InChI=1S/C20H27N3O4/c24-17-5-1-4-15-12-9-13(11-23(15)17)18-19(25)16(6-8-22(18)10-12)27-20(26)14-3-2-7-21-14/h2-3,7,12-13,15-16,18-19,21,25H,1,4-6,8-11H2/t12-,13-,15+,16-,18+,19?/m0/s1

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UZQRTUHIAXQEDA-JSNKKPAFSA-N

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