(Q82898705)

English

2-Amino-N-(1-{[N~2~-(6-carbamimidamido-1-chloro-2-oxohexan-3-yl)lysyl]imino}-1-hydroxypropan-2-yl)-3-(4-hydroxyphenyl)propanimidic acid

group of stereoisomers with the chemical formula C₂₅H₄₁ClN₈O₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

568.2888440920001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₁ClN₈O₅

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based on heuristic

inferred from SMILES

canonical SMILES

CC(N=C(O)C(N)Cc1ccc(O)cc1)C(O)=NC(=O)C(CCCCN)NC(CCCNC(=N)N)C(=O)CCl

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NC(=O)[C@H](CCCCN)NC(CCCNC(=N)N)C(=O)CCl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C25H41ClN8O5/c1-15(32-23(38)18(28)13-16-7-9-17(35)10-8-16)22(37)34-24(39)20(5-2-3-11-27)33-19(21(36)14-26)6-4-12-31-25(29)30/h7-10,15,18-20,33,35H,2-6,11-14,27-28H2,1H3,(H,32,38)(H4,29,30,31)(H,34,37,39)/t15-,18-,19?,20-/m0/s1

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InChIKey

OLMDLIMSPBDHPX-GZKUECPQSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID801353357

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(Q82898705)

2-Amino-N-(1-{[N~2~-(6-carbamimidamido-1-chloro-2-oxohexan-3-yl)lysyl]imino}-1-hydroxypropan-2-yl)-3-(4-hydroxyphenyl)propanimidic acid

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Identifiers

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