(Q82992742)

English

N-{Amino[methyl(2-phenylethyl)amino]acetyl}-N-[4-(methanesulfinyl)butanoyl]tyrosinamide

group of stereoisomers with the chemical formula C₂₅H₃₄N₄O₅S

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

502.22499118799993 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄N₄O₅S

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based on heuristic

inferred from SMILES

canonical SMILES

CN(CCc1ccccc1)C(N)C(=O)N(C(=O)CCCS(C)=O)C(=O)C(N)Cc1ccc(O)cc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN(CCc1ccccc1)[C@@H](N)C(=O)N(C(=O)CCCS(C)=O)C(=O)[C@@H](N)Cc1ccc(O)cc1

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C25H34N4O5S/c1-28(15-14-18-7-4-3-5-8-18)23(27)25(33)29(22(31)9-6-16-35(2)34)24(32)21(26)17-19-10-12-20(30)13-11-19/h3-5,7-8,10-13,21,23,30H,6,9,14-17,26-27H2,1-2H3/t21-,23+,35?/m0/s1

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InChIKey

VZHJHDJYSCFOFP-UAQYSYNFSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID601426570

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(Q82992742)

N-{Amino[methyl(2-phenylethyl)amino]acetyl}-N-[4-(methanesulfinyl)butanoyl]tyrosinamide

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Identifiers

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