(Q82241433)

English

Nalpha-Benzoyl-L-asparagine 4-nitroanilide

chemical compound

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Statements

type of chemical entity

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chemical compound

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356.11206961199997 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₇H₁₆N₄O₅

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canonical SMILES

NC(=O)CC(NC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CC(=O)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

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Identifiers

InChI=1S/C17H16N4O5/c18-15(22)10-14(20-16(23)11-4-2-1-3-5-11)17(24)19-12-6-8-13(9-7-12)21(25)26/h1-9,14H,10H2,(H2,18,22)(H,19,24)(H,20,23)/t14-/m0/s1

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SLFUSGBNVYEJGY-AWEZNQCLSA-N

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CAS Registry Number

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UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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