(Q76311384)

English

methyl (2S)-2-[[(2R)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]propanoate

chemical compound

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No description defined

Statements

type of chemical entity

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chemical compound

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323.11912915199997 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

L-Alanine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, methyl ester, (S)-

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₁NO₄S

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canonical SMILES

COC(=O)C(C)NC(=O)C(CSC(C)=O)Cc1ccccc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)[C@@H](CC1=CC=CC=C1)CSC(=O)C

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Identifiers

InChI=1S/C16H21NO4S/c1-11(16(20)21-3)17-15(19)14(10-22-12(2)18)9-13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3,(H,17,19)/t11-,14-/m0/s1

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IILAXUDEBIWXHF-FZMZJTMJSA-N

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CAS Registry Number

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1 reference

matched by identifier from

IILAXUDEBIWXHF-FZMZJTMJSA-N

UniChem compound ID

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DSSTox substance ID

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Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

IILAXUDEBIWXHF-FZMZJTMJSA-N

DSSTOX compound identifier

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