(Q104917396)

English

(4E)-4-(2-{[1-carboxy-2-(1H-indol-3-yl)ethyl]imino}ethylidene)-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid

group of stereoisomers with the chemical formula C₂₀H₁₉N₃O₆

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Statements

group of stereoisomers

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tryptamine alkaloid

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tryptamine alkaloid

397.127385328 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₁₉N₃O₆

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canonical SMILES

O=C(O)C1=CC(=CC=NC(C(=O)O)CC2=CNC=3C=CC=CC32)CC(N1)C(=O)O

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isomeric SMILES

O=C(O)C1=C/C(=C/C=NC(Cc2c[nH]c3ccccc23)C(=O)O)CC(C(=O)O)N1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C20H19N3O6/c24-18(25)15(9-12-10-22-14-4-2-1-3-13(12)14)21-6-5-11-7-16(19(26)27)23-17(8-11)20(28)29/h1-7,10,15,17,22-23H,8-9H2,(H,24,25)(H,26,27)(H,28,29)/b11-5-,21-6?

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ARKIQAJOXYYWTM-AIWULZAESA-N

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