(Q72456848)

English

3-[[[4-[4-[[[1-(2-Chlorophenyl)ethoxy]carbonyl]amino]-3-methyl-5-isoxazolyl]phenyl]methyl]thio]-propanoic acid methyl ester

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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chemical formula

C₂₄H₂₅ClN₂O₅S

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canonical SMILES

COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)

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BPZSYCZIITTYBL-UHFFFAOYSA-N

1 reference

based on heuristic

inferred from InChI

CAS Registry Number

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1 reference

matched by identifier from

BPZSYCZIITTYBL-UHFFFAOYSA-N

mapping relation type

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matched by identifier from

International Chemical Identifier

InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

BPZSYCZIITTYBL-UHFFFAOYSA-N

DSSTox substance ID

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matched by identifier from

BPZSYCZIITTYBL-UHFFFAOYSA-N

1 reference

matched by identifier from

BPZSYCZIITTYBL-UHFFFAOYSA-N

Human Metabolome Database ID

1 reference

matched by identifier from

BPZSYCZIITTYBL-UHFFFAOYSA-N

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