(Q82970321)

English

1-{N-[Hydroxy(5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl)methylidene]histidyl}piperidine-2-carboximidic acid

group of stereoisomers with the chemical formula C₁₇H₂₄N₆O₄

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Statements

group of stereoisomers

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chemical compound

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376.185903248 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₄N₆O₄

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based on heuristic

inferred from SMILES

canonical SMILES

N=C(O)C1CCCCN1C(=O)C(Cc1cnc[nH]1)N=C(O)C1CCC(O)=N1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

NC(=O)C1CCCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C17H24N6O4/c18-15(25)13-3-1-2-6-23(13)17(27)12(7-10-8-19-9-20-10)22-16(26)11-4-5-14(24)21-11/h8-9,11-13H,1-7H2,(H2,18,25)(H,19,20)(H,21,24)(H,22,26)/t11-,12-,13?/m0/s1

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IWTYAVJLOSUEAH-VYAYZGMFSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID401410632

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