(Q82965532)

English

2-[(2-Amino-1-hydroxy-3-methylbutylidene)amino]-N-[6-amino-1-(4-nitroanilino)-1-oxohexan-2-yl]-3-methylpentanimidic acid

group of stereoisomers with the chemical formula C₂₃H₃₈N₆O₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

478.29036831599996 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₈N₆O₅

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based on heuristic

inferred from SMILES

canonical SMILES

CCC(C)C(N=C(O)C(N)C(C)C)C(O)=NC(CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCC(C)C(NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C23H38N6O5/c1-5-15(4)20(28-22(31)19(25)14(2)3)23(32)27-18(8-6-7-13-24)21(30)26-16-9-11-17(12-10-16)29(33)34/h9-12,14-15,18-20H,5-8,13,24-25H2,1-4H3,(H,26,30)(H,27,32)(H,28,31)/t15?,18-,19+,20?/m0/s1

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InChIKey

GQAAGJRJCUHPEZ-GLKKMWKASA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID201407093

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(Q82965532)

2-[(2-Amino-1-hydroxy-3-methylbutylidene)amino]-N-[6-amino-1-(4-nitroanilino)-1-oxohexan-2-yl]-3-methylpentanimidic acid

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Identifiers

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